diff --git a/graph_dit/datasets/dataset.py b/graph_dit/datasets/dataset.py
index 3719a8b..c3c0fc9 100644
--- a/graph_dit/datasets/dataset.py
+++ b/graph_dit/datasets/dataset.py
@@ -13,6 +13,7 @@ import torch
 import torch.nn.functional as F
 from rdkit import Chem, RDLogger
 from rdkit.Chem.rdchem import BondType as BT
+from rdkit.Chem import rdchem
 from tqdm import tqdm
 import numpy as np
 import pandas as pd
@@ -24,6 +25,9 @@ import utils as utils
 from datasets.abstract_dataset import AbstractDatasetInfos, AbstractDataModule
 from diffusion.distributions import DistributionNodes
 
+import networkx as nx
+
+
 bonds = {BT.SINGLE: 1, BT.DOUBLE: 2, BT.TRIPLE: 3, BT.AROMATIC: 4}
 
 op_to_atom = {
@@ -111,8 +115,74 @@ class DataModule(AbstractDataModule):
         print(self.task, ' dataset len', len(dataset), 'train len', len(train_index), 'val len', len(val_index), 'test len', len(test_index))
         return train_index, val_index, test_index, []
 
+    def parse_architecture_string(arch_str):
+            stages = arch_str.split('+')
+            nodes = ['input']
+            edges = []
+            
+            for stage in stages:
+                operations = stage.strip('|').split('|')
+                for op in operations:
+                    operation, idx = op.split('~')
+                    idx = int(idx)
+                    edges.append((idx, len(nodes)))  # Add edge from idx to the new node
+                    nodes.append(operation)
+            nodes.append('output')  # Add the output node
+            return nodes, edges
+
+    def create_molecule_from_graph(nodes, edges):
+        mol = Chem.RWMol()  # RWMol allows for building the molecule step by step
+        atom_indices = {}
+        
+        # Add atoms to the molecule
+        for i, node in enumerate(nodes):
+            atom_symbol = op_to_atom[node]
+            atom = Chem.Atom(atom_symbol)
+            atom_idx = mol.AddAtom(atom)
+            atom_indices[i] = atom_idx
+        
+        # Add bonds to the molecule
+        for start, end in edges:
+            mol.AddBond(atom_indices[start], atom_indices[end], rdchem.BondType.SINGLE)
+        
+        return mol
+
+    def arch_str_to_smiles(self, arch_str):
+        nodes, edges = self.parse_architecture_string(arch_str)
+        mol = self.create_molecule_from_graph(nodes, edges)
+        smiles = Chem.MolToSmiles(mol)
+        return smiles
+
     def get_train_smiles(self):
-        raise NotImplementedError("This method is not applicable for NAS-Bench-201 data.")
+        # raise NotImplementedError("This method is not applicable for NAS-Bench-201 data.")
+        # train_arch_strs = []
+        # test_arch_strs = []
+
+        # for idx in self.train_index:
+        #     arch_info = self.train_dataset[idx]
+        #     arch_str = arch_info.arch_str
+        #     train_arch_strs.append(arch_str)
+        # for idx in self.test_index:
+        #     arch_info = self.train_dataset[idx]
+        #     arch_str = arch_info.arch_str
+        #     test_arch_strs.append(arch_str)
+
+        train_smiles = []   
+        test_smiles = []
+
+        for idx in self.train_index:
+            graph = self.train_dataset[idx]
+            mol = self.create_molecule_from_graph(graph.x, graph.edge_index)
+            train_smiles.append(Chem.MolToSmiles(mol))
+        
+        for idx in self.test_index:
+            graph = self.train_dataset[idx]
+            mol = self.create_molecule_from_graph(graph.x, graph.edge_index)
+            test_smiles.append(Chem.MolToSmiles(mol))
+        
+        # train_smiles = [self.arch_str_to_smiles(arch_str) for arch_str in train_arch_strs]
+        # test_smiles = [self.arch_str_to_smiles(arch_str) for arch_str in test_arch_strs]
+        return train_smiles, test_smiles
 
     def get_data_split(self):
         raise NotImplementedError("This method is not applicable for NAS-Bench-201 data.")
@@ -543,6 +613,96 @@ def graphs_to_json(graphs, filename):
         json.dump(meta_dict, f)
     return meta_dict
 
+class Dataset(InMemoryDataset):
+    def __init__(self, source, root, target_prop=None, transform=None, pre_transform=None, pre_filter=None):
+        self.target_prop = target_prop
+        source = '/home/stud/hanzhang/Graph-DiT/graph_dit/NAS-Bench-201-v1_1-096897.pth'
+        self.source = source
+        self.api = API(source)  # Initialize NAS-Bench-201 API
+        super().__init__(root, transform, pre_transform, pre_filter)
+        self.data, self.slices = torch.load(self.processed_paths[0])
+
+    @property
+    def raw_file_names(self):
+        return []  # NAS-Bench-201 data is loaded via the API, no raw files needed
+    
+    @property
+    def processed_file_names(self):
+        return [f'{self.source}.pt']
+
+    def process(self):
+        def parse_architecture_string(arch_str):
+            stages = arch_str.split('+')
+            nodes = ['input']
+            edges = []
+            
+            for stage in stages:
+                operations = stage.strip('|').split('|')
+                for op in operations:
+                    operation, idx = op.split('~')
+                    idx = int(idx)
+                    edges.append((idx, len(nodes)))  # Add edge from idx to the new node
+                    nodes.append(operation)
+            nodes.append('output')  # Add the output node
+            return nodes, edges
+
+        def create_graph(nodes, edges):
+            G = nx.DiGraph()
+            for i, node in enumerate(nodes):
+                G.add_node(i, label=node)
+            G.add_edges_from(edges)
+            return G
+
+        def arch_to_graph(arch_str, sa, sc, target, target2=None, target3=None):
+            nodes, edges = parse_architecture_string(arch_str)
+            node_labels = [bonds[node] for node in nodes]  # Replace with appropriate encoding if necessary
+            x = torch.LongTensor(node_labels)
+
+            edges_list = [(start, end) for start, end in edges]
+            edge_type = [bonds[nodes[end]] for start, end in edges]  # Example: using end node type as edge type
+            edge_index = torch.tensor(edges_list, dtype=torch.long).t().contiguous()
+            edge_type = torch.tensor(edge_type, dtype=torch.long)
+            edge_attr = edge_type.view(-1, 1)
+
+            if target3 is not None:
+                y = torch.tensor([sa, sc, target, target2, target3], dtype=torch.float).view(1, -1)
+            elif target2 is not None:
+                y = torch.tensor([sa, sc, target, target2], dtype=torch.float).view(1, -1)
+            else:
+                y = torch.tensor([sa, sc, target], dtype=torch.float).view(1, -1)
+
+            data = Data(x=x, edge_index=edge_index, edge_attr=edge_attr, y=y)
+            return data, nodes
+
+        bonds = {
+            'nor_conv_1x1': 1,
+            'nor_conv_3x3': 2,
+            'avg_pool_3x3': 3,
+            'skip_connect': 4,
+            'input': 7,
+            'output': 5,
+            'none': 6
+        }
+
+        # Prepare to process NAS-Bench-201 data
+        data_list = []
+        len_data = len(self.api)  # Number of architectures
+        with tqdm(total=len_data) as pbar:
+            for arch_index in range(len_data):
+                arch_info = self.api.query_meta_info_by_index(arch_index)
+                arch_str = arch_info.arch_str
+                sa = np.random.rand()  # Placeholder for synthetic accessibility
+                sc = np.random.rand()  # Placeholder for substructure count
+                target = np.random.rand()  # Placeholder for target value
+                target2 = np.random.rand()  # Placeholder for second target value
+                target3 = np.random.rand()  # Placeholder for third target value
+
+                data, active_nodes = arch_to_graph(arch_str, sa, sc, target, target2, target3)
+                data_list.append(data)
+                pbar.update(1)
+
+        torch.save(self.collate(data_list), self.processed_paths[0])
+
 class Dataset_origin(InMemoryDataset):
     def __init__(self, source, root, target_prop=None,
                  transform=None, pre_transform=None, pre_filter=None):
@@ -671,7 +831,7 @@ class DataInfos(AbstractDatasetInfos):
         length = 15625
         ops_type = {}
         len_ops = set()
-        api = API('../NAS-Bench-201-v1_0-e61699.pth')
+        api = API('/home/stud/hanzhang/Graph-DiT/graph_dit/NAS-Bench-201-v1_1-096897.pth')
         for i in range(length):
             arch_info = api.query_meta_info_by_index(i)
             nodes, edges = parse_architecture_string(arch_info.arch_str)
diff --git a/graph_dit/test_nasbench.ipynb b/graph_dit/test_nasbench.ipynb
index e418c4c..01eb270 100644
--- a/graph_dit/test_nasbench.ipynb
+++ b/graph_dit/test_nasbench.ipynb
@@ -2,7 +2,7 @@
  "cells": [
   {
    "cell_type": "code",
-   "execution_count": 41,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -11,7 +11,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 42,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -20,23 +20,9 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 43,
+   "execution_count": null,
    "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "There are 1 trials for this architecture [|nor_conv_3x3~0|+|nor_conv_3x3~0|avg_pool_3x3~1|+|skip_connect~0|nor_conv_3x3~1|skip_connect~2|] on CIFAR-100\n",
-      "Latency : 0.015363384176183631\n",
-      "Train Info : {'iepoch': 11, 'loss': 1.2711473697662354, 'accuracy': 63.756, 'cur_time': 21.69641375541687, 'all_time': 260.35696506500244}\n",
-      "Valid Info : {'iepoch': 11, 'loss': 1.495258326148987, 'accuracy': 57.79999996948242, 'cur_time': 0.7508397953850883, 'all_time': 9.01007754462106}\n",
-      "Test  Info : {'iepoch': 11, 'loss': 1.477725588607788, 'accuracy': 58.25999995727539, 'cur_time': 0.7508397953850883, 'all_time': 9.01007754462106}\n",
-      "\n",
-      "Train Info [10-th epoch]: {'iepoch': 10, 'loss': 1.3365458668136596, 'accuracy': 61.568, 'cur_time': 21.69641375541687, 'all_time': 238.66055130958557}\n"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
     "results = api.query_by_index(1, 'cifar100')\n",
     "print('There are {:} trials for this architecture [{:}] on CIFAR-100'.format(len(results), api[1]))\n",
@@ -52,7 +38,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 44,
+   "execution_count": 56,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -78,7 +64,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 45,
+   "execution_count": 57,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -96,7 +82,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 46,
+   "execution_count": 58,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -117,7 +103,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 47,
+   "execution_count": 59,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -131,15696 +117,9 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 48,
+   "execution_count": null,
    "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "|avg_pool_3x3~0|+|nor_conv_1x1~0|skip_connect~1|+|nor_conv_1x1~0|skip_connect~1|skip_connect~2|\n",
-      "Adjacency Matrix:\n",
-      "[[0 1 1 1 0 0 0 0]\n",
-      " [0 0 1 1 0 0 0 0]\n",
-      " [0 0 0 1 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]]\n",
-      "Operations List:\n",
-      "['input', 'avg_pool_3x3', 'nor_conv_1x1', 'skip_connect', 'nor_conv_1x1', 'skip_connect', 'skip_connect', 'output']\n",
-      "|nor_conv_3x3~0|+|nor_conv_3x3~0|avg_pool_3x3~1|+|skip_connect~0|nor_conv_3x3~1|skip_connect~2|\n",
-      "Adjacency Matrix:\n",
-      "[[0 1 1 1 0 0 0 0]\n",
-      " [0 0 1 1 0 0 0 0]\n",
-      " [0 0 0 1 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]]\n",
-      "Operations List:\n",
-      "['input', 'nor_conv_3x3', 'nor_conv_3x3', 'avg_pool_3x3', 'skip_connect', 'nor_conv_3x3', 'skip_connect', 'output']\n",
-      "|avg_pool_3x3~0|+|nor_conv_3x3~0|nor_conv_3x3~1|+|avg_pool_3x3~0|avg_pool_3x3~1|avg_pool_3x3~2|\n",
-      "Adjacency Matrix:\n",
-      "[[0 1 1 1 0 0 0 0]\n",
-      " [0 0 1 1 0 0 0 0]\n",
-      " [0 0 0 1 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]]\n",
-      "Operations List:\n",
-      "['input', 'avg_pool_3x3', 'nor_conv_3x3', 'nor_conv_3x3', 'avg_pool_3x3', 'avg_pool_3x3', 'avg_pool_3x3', 'output']\n",
-      "|avg_pool_3x3~0|+|skip_connect~0|none~1|+|none~0|none~1|skip_connect~2|\n",
-      "Adjacency Matrix:\n",
-      "[[0 1 1 1 0 0 0 0]\n",
-      " [0 0 1 1 0 0 0 0]\n",
-      " [0 0 0 1 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]]\n",
-      "Operations List:\n",
-      "['input', 'avg_pool_3x3', 'skip_connect', 'none', 'none', 'none', 'skip_connect', 'output']\n",
-      "|skip_connect~0|+|skip_connect~0|nor_conv_1x1~1|+|skip_connect~0|skip_connect~1|nor_conv_1x1~2|\n",
-      "Adjacency Matrix:\n",
-      "[[0 1 1 1 0 0 0 0]\n",
-      " [0 0 1 1 0 0 0 0]\n",
-      " [0 0 0 1 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]\n",
-      " [0 0 0 0 0 0 0 0]]\n",
-      "Operations List:\n",
-      "['input', 'skip_connect', 'skip_connect', 'nor_conv_1x1', 'skip_connect', 'skip_connect', 'nor_conv_1x1', 'output']\n",
-      "|nor_conv_1x1~0|+|skip_connect~0|nor_conv_1x1~1|+|nor_conv_3x3~0|none~1|avg_pool_3x3~2|\n",
-      "|nor_conv_3x3~0|+|none~0|none~1|+|avg_pool_3x3~0|nor_conv_3x3~1|nor_conv_3x3~2|\n",
-      "|none~0|+|skip_connect~0|avg_pool_3x3~1|+|skip_connect~0|nor_conv_3x3~1|nor_conv_3x3~2|\n",
-      "|nor_conv_1x1~0|+|avg_pool_3x3~0|skip_connect~1|+|skip_connect~0|none~1|nor_conv_3x3~2|\n",
-      "|avg_pool_3x3~0|+|none~0|none~1|+|skip_connect~0|none~1|nor_conv_3x3~2|\n",
-      "|nor_conv_3x3~0|+|nor_conv_3x3~0|nor_conv_3x3~1|+|none~0|none~1|none~2|\n",
-      "|nor_conv_3x3~0|+|nor_conv_3x3~0|avg_pool_3x3~1|+|none~0|nor_conv_3x3~1|avg_pool_3x3~2|\n",
-      "|none~0|+|none~0|none~1|+|none~0|nor_conv_3x3~1|avg_pool_3x3~2|\n",
-      "|none~0|+|avg_pool_3x3~0|skip_connect~1|+|nor_conv_3x3~0|nor_conv_1x1~1|nor_conv_1x1~2|\n",
-      "|nor_conv_3x3~0|+|none~0|nor_conv_1x1~1|+|nor_conv_3x3~0|none~1|none~2|\n",
-      "|skip_connect~0|+|avg_pool_3x3~0|skip_connect~1|+|skip_connect~0|none~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|skip_connect~0|nor_conv_3x3~1|+|skip_connect~0|none~1|nor_conv_3x3~2|\n",
-      "|avg_pool_3x3~0|+|skip_connect~0|nor_conv_1x1~1|+|nor_conv_1x1~0|skip_connect~1|nor_conv_1x1~2|\n",
-      "|avg_pool_3x3~0|+|avg_pool_3x3~0|nor_conv_3x3~1|+|nor_conv_3x3~0|skip_connect~1|nor_conv_1x1~2|\n",
-      "|nor_conv_3x3~0|+|nor_conv_3x3~0|nor_conv_1x1~1|+|avg_pool_3x3~0|avg_pool_3x3~1|none~2|\n",
-      "|none~0|+|avg_pool_3x3~0|avg_pool_3x3~1|+|skip_connect~0|nor_conv_3x3~1|nor_conv_3x3~2|\n",
-      "|nor_conv_1x1~0|+|none~0|none~1|+|nor_conv_1x1~0|nor_conv_3x3~1|none~2|\n",
-      "|avg_pool_3x3~0|+|avg_pool_3x3~0|none~1|+|nor_conv_3x3~0|avg_pool_3x3~1|nor_conv_1x1~2|\n",
-      "|skip_connect~0|+|avg_pool_3x3~0|nor_conv_3x3~1|+|nor_conv_3x3~0|nor_conv_3x3~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|skip_connect~0|nor_conv_1x1~1|+|none~0|skip_connect~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|none~0|skip_connect~1|+|none~0|none~1|skip_connect~2|\n",
-      "|nor_conv_1x1~0|+|nor_conv_1x1~0|nor_conv_1x1~1|+|nor_conv_1x1~0|avg_pool_3x3~1|skip_connect~2|\n",
-      "|avg_pool_3x3~0|+|skip_connect~0|nor_conv_1x1~1|+|nor_conv_1x1~0|nor_conv_1x1~1|none~2|\n",
-      "|nor_conv_1x1~0|+|avg_pool_3x3~0|skip_connect~1|+|skip_connect~0|avg_pool_3x3~1|skip_connect~2|\n",
-      "|nor_conv_3x3~0|+|avg_pool_3x3~0|none~1|+|avg_pool_3x3~0|avg_pool_3x3~1|none~2|\n",
-      "|none~0|+|skip_connect~0|none~1|+|nor_conv_3x3~0|skip_connect~1|none~2|\n",
-      "|skip_connect~0|+|nor_conv_1x1~0|none~1|+|avg_pool_3x3~0|nor_conv_3x3~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|nor_conv_1x1~0|skip_connect~1|+|none~0|skip_connect~1|nor_conv_3x3~2|\n",
-      "|nor_conv_1x1~0|+|none~0|skip_connect~1|+|nor_conv_1x1~0|nor_conv_3x3~1|avg_pool_3x3~2|\n",
-      "|nor_conv_1x1~0|+|none~0|avg_pool_3x3~1|+|nor_conv_3x3~0|none~1|skip_connect~2|\n",
-      "|skip_connect~0|+|avg_pool_3x3~0|none~1|+|nor_conv_1x1~0|none~1|nor_conv_3x3~2|\n",
-      "|avg_pool_3x3~0|+|nor_conv_3x3~0|skip_connect~1|+|avg_pool_3x3~0|nor_conv_3x3~1|nor_conv_1x1~2|\n",
-      "|nor_conv_1x1~0|+|skip_connect~0|skip_connect~1|+|none~0|avg_pool_3x3~1|skip_connect~2|\n",
-      "|nor_conv_3x3~0|+|avg_pool_3x3~0|skip_connect~1|+|none~0|nor_conv_3x3~1|nor_conv_1x1~2|\n",
-      "|skip_connect~0|+|nor_conv_1x1~0|none~1|+|skip_connect~0|nor_conv_1x1~1|skip_connect~2|\n",
-      "|none~0|+|skip_connect~0|nor_conv_3x3~1|+|none~0|nor_conv_1x1~1|avg_pool_3x3~2|\n",
-      "|nor_conv_1x1~0|+|nor_conv_3x3~0|none~1|+|nor_conv_1x1~0|none~1|none~2|\n",
-      "|none~0|+|nor_conv_3x3~0|nor_conv_1x1~1|+|skip_connect~0|none~1|nor_conv_3x3~2|\n",
-      "|none~0|+|avg_pool_3x3~0|none~1|+|nor_conv_3x3~0|avg_pool_3x3~1|nor_conv_3x3~2|\n",
-      "|avg_pool_3x3~0|+|skip_connect~0|nor_conv_1x1~1|+|none~0|skip_connect~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|skip_connect~0|none~1|+|none~0|nor_conv_1x1~1|skip_connect~2|\n",
-      "|skip_connect~0|+|avg_pool_3x3~0|avg_pool_3x3~1|+|avg_pool_3x3~0|nor_conv_3x3~1|nor_conv_3x3~2|\n",
-      "|none~0|+|skip_connect~0|avg_pool_3x3~1|+|nor_conv_3x3~0|nor_conv_3x3~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|none~0|avg_pool_3x3~1|+|skip_connect~0|skip_connect~1|nor_conv_1x1~2|\n",
-      "|nor_conv_3x3~0|+|avg_pool_3x3~0|none~1|+|nor_conv_1x1~0|skip_connect~1|skip_connect~2|\n",
-      "|nor_conv_1x1~0|+|nor_conv_3x3~0|nor_conv_1x1~1|+|nor_conv_3x3~0|skip_connect~1|nor_conv_1x1~2|\n",
-      "|none~0|+|avg_pool_3x3~0|skip_connect~1|+|skip_connect~0|nor_conv_3x3~1|nor_conv_1x1~2|\n",
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-      "|nor_conv_1x1~0|+|nor_conv_3x3~0|nor_conv_3x3~1|+|nor_conv_3x3~0|skip_connect~1|avg_pool_3x3~2|\n",
-      "|nor_conv_3x3~0|+|skip_connect~0|avg_pool_3x3~1|+|avg_pool_3x3~0|nor_conv_1x1~1|skip_connect~2|\n",
-      "|avg_pool_3x3~0|+|avg_pool_3x3~0|avg_pool_3x3~1|+|skip_connect~0|nor_conv_1x1~1|nor_conv_1x1~2|\n",
-      "|skip_connect~0|+|skip_connect~0|none~1|+|avg_pool_3x3~0|none~1|avg_pool_3x3~2|\n",
-      "|none~0|+|none~0|skip_connect~1|+|avg_pool_3x3~0|avg_pool_3x3~1|none~2|\n",
-      "|avg_pool_3x3~0|+|avg_pool_3x3~0|none~1|+|nor_conv_1x1~0|avg_pool_3x3~1|none~2|\n",
-      "|none~0|+|avg_pool_3x3~0|nor_conv_3x3~1|+|none~0|avg_pool_3x3~1|none~2|\n",
-      "|skip_connect~0|+|none~0|nor_conv_3x3~1|+|nor_conv_3x3~0|nor_conv_3x3~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|none~0|skip_connect~1|+|none~0|skip_connect~1|avg_pool_3x3~2|\n",
-      "|avg_pool_3x3~0|+|nor_conv_3x3~0|none~1|+|skip_connect~0|none~1|skip_connect~2|\n",
-      "|nor_conv_1x1~0|+|skip_connect~0|nor_conv_3x3~1|+|none~0|nor_conv_1x1~1|skip_connect~2|\n",
-      "|skip_connect~0|+|skip_connect~0|nor_conv_1x1~1|+|nor_conv_1x1~0|none~1|avg_pool_3x3~2|\n",
-      "|avg_pool_3x3~0|+|avg_pool_3x3~0|avg_pool_3x3~1|+|none~0|avg_pool_3x3~1|nor_conv_1x1~2|\n",
-      "|avg_pool_3x3~0|+|nor_conv_3x3~0|nor_conv_3x3~1|+|skip_connect~0|nor_conv_1x1~1|nor_conv_1x1~2|\n",
-      "|none~0|+|avg_pool_3x3~0|none~1|+|none~0|none~1|nor_conv_1x1~2|\n",
-      "|none~0|+|skip_connect~0|nor_conv_1x1~1|+|avg_pool_3x3~0|nor_conv_1x1~1|nor_conv_3x3~2|\n",
-      "|skip_connect~0|+|nor_conv_3x3~0|avg_pool_3x3~1|+|skip_connect~0|none~1|none~2|\n",
-      "|avg_pool_3x3~0|+|nor_conv_1x1~0|nor_conv_1x1~1|+|avg_pool_3x3~0|nor_conv_1x1~1|nor_conv_1x1~2|\n",
-      "|avg_pool_3x3~0|+|skip_connect~0|nor_conv_3x3~1|+|none~0|nor_conv_3x3~1|skip_connect~2|\n",
-      "|nor_conv_1x1~0|+|nor_conv_1x1~0|none~1|+|avg_pool_3x3~0|skip_connect~1|avg_pool_3x3~2|\n",
-      "|none~0|+|nor_conv_3x3~0|none~1|+|nor_conv_3x3~0|nor_conv_1x1~1|nor_conv_3x3~2|\n",
-      "|none~0|+|avg_pool_3x3~0|skip_connect~1|+|nor_conv_1x1~0|skip_connect~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|nor_conv_3x3~0|none~1|+|none~0|skip_connect~1|none~2|\n",
-      "|none~0|+|nor_conv_3x3~0|nor_conv_3x3~1|+|skip_connect~0|nor_conv_1x1~1|none~2|\n",
-      "|nor_conv_1x1~0|+|skip_connect~0|nor_conv_1x1~1|+|none~0|nor_conv_3x3~1|skip_connect~2|\n",
-      "|nor_conv_3x3~0|+|nor_conv_1x1~0|nor_conv_1x1~1|+|nor_conv_3x3~0|avg_pool_3x3~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|nor_conv_3x3~0|nor_conv_1x1~1|+|nor_conv_1x1~0|none~1|nor_conv_3x3~2|\n",
-      "|nor_conv_1x1~0|+|none~0|nor_conv_3x3~1|+|nor_conv_3x3~0|avg_pool_3x3~1|none~2|\n",
-      "|nor_conv_1x1~0|+|skip_connect~0|nor_conv_1x1~1|+|avg_pool_3x3~0|nor_conv_1x1~1|nor_conv_3x3~2|\n",
-      "|none~0|+|avg_pool_3x3~0|nor_conv_1x1~1|+|nor_conv_3x3~0|nor_conv_1x1~1|avg_pool_3x3~2|\n",
-      "|nor_conv_3x3~0|+|none~0|nor_conv_3x3~1|+|avg_pool_3x3~0|skip_connect~1|nor_conv_3x3~2|\n",
-      "|none~0|+|nor_conv_3x3~0|nor_conv_3x3~1|+|nor_conv_1x1~0|none~1|nor_conv_3x3~2|\n",
-      "|nor_conv_3x3~0|+|nor_conv_3x3~0|none~1|+|skip_connect~0|none~1|nor_conv_1x1~2|\n",
-      "|none~0|+|nor_conv_3x3~0|skip_connect~1|+|none~0|none~1|avg_pool_3x3~2|\n",
-      "|avg_pool_3x3~0|+|avg_pool_3x3~0|avg_pool_3x3~1|+|nor_conv_3x3~0|avg_pool_3x3~1|nor_conv_3x3~2|\n",
-      "|skip_connect~0|+|none~0|avg_pool_3x3~1|+|skip_connect~0|avg_pool_3x3~1|skip_connect~2|\n",
-      "|none~0|+|nor_conv_3x3~0|nor_conv_1x1~1|+|nor_conv_3x3~0|avg_pool_3x3~1|none~2|\n",
-      "|nor_conv_1x1~0|+|nor_conv_1x1~0|none~1|+|avg_pool_3x3~0|none~1|skip_connect~2|\n",
-      "|nor_conv_3x3~0|+|nor_conv_1x1~0|avg_pool_3x3~1|+|avg_pool_3x3~0|nor_conv_1x1~1|avg_pool_3x3~2|\n",
-      "|skip_connect~0|+|nor_conv_3x3~0|avg_pool_3x3~1|+|nor_conv_3x3~0|nor_conv_3x3~1|nor_conv_3x3~2|\n",
-      "|avg_pool_3x3~0|+|nor_conv_1x1~0|skip_connect~1|+|nor_conv_3x3~0|nor_conv_3x3~1|nor_conv_1x1~2|\n",
-      "|none~0|+|none~0|skip_connect~1|+|none~0|none~1|nor_conv_3x3~2|\n",
-      "|nor_conv_3x3~0|+|nor_conv_3x3~0|skip_connect~1|+|skip_connect~0|nor_conv_3x3~1|none~2|\n",
-      "|avg_pool_3x3~0|+|none~0|none~1|+|nor_conv_3x3~0|nor_conv_3x3~1|none~2|\n",
-      "|nor_conv_1x1~0|+|nor_conv_3x3~0|avg_pool_3x3~1|+|none~0|none~1|nor_conv_3x3~2|\n",
-      "|none~0|+|none~0|skip_connect~1|+|avg_pool_3x3~0|nor_conv_1x1~1|skip_connect~2|\n",
-      "|nor_conv_3x3~0|+|skip_connect~0|skip_connect~1|+|avg_pool_3x3~0|avg_pool_3x3~1|nor_conv_3x3~2|\n",
-      "|none~0|+|avg_pool_3x3~0|avg_pool_3x3~1|+|skip_connect~0|skip_connect~1|none~2|\n",
-      "|avg_pool_3x3~0|+|nor_conv_3x3~0|nor_conv_3x3~1|+|skip_connect~0|nor_conv_1x1~1|none~2|\n",
-      "|skip_connect~0|+|nor_conv_3x3~0|nor_conv_3x3~1|+|nor_conv_3x3~0|none~1|nor_conv_1x1~2|\n",
-      "|none~0|+|avg_pool_3x3~0|avg_pool_3x3~1|+|avg_pool_3x3~0|none~1|avg_pool_3x3~2|\n",
-      "|nor_conv_1x1~0|+|none~0|nor_conv_1x1~1|+|none~0|nor_conv_1x1~1|nor_conv_1x1~2|\n"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
     "graphs = []\n",
     "length = 15625\n",
@@ -15839,25 +138,15 @@
     "        if op not in ops_type:\n",
     "            ops_type[op] = len(ops_type)\n",
     "    len_ops.add(len(ops))\n",
-    "    graphs.append((adj_matrix, ops))\n"
+    "    graphs.append((adj_matrix, ops))\n",
+    "print(graphs[0])\n"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 49,
+   "execution_count": null,
    "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "7\n",
-      "1\n",
-      "{'input': 0, 'avg_pool_3x3': 1, 'nor_conv_1x1': 2, 'skip_connect': 3, 'output': 4, 'nor_conv_3x3': 5, 'none': 6}\n",
-      "{8}\n"
-     ]
-    }
-   ],
+   "outputs": [],
    "source": [
     "print(len(ops_type))\n",
     "print(len(len_ops))\n",
@@ -15867,7 +156,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 50,
+   "execution_count": 60,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -15885,7 +174,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 66,
+   "execution_count": 61,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -15954,12 +243,12 @@
     "                if i == j or adj[i][j] == 0:\n",
     "                    continue\n",
     "                start_atom, end_atom = i, j\n",
-    "                if ops[start_atom] == 'input' or ops[end_atom] == 'input':\n",
-    "                    continue\n",
-    "                if ops[start_atom] == 'output' or ops[end_atom] == 'output':\n",
-    "                    continue\n",
-    "                if ops[start_atom] == 'none' or ops[end_atom] == 'none':\n",
-    "                    continue\n",
+    "                # if ops[start_atom] == 'input' or ops[end_atom] == 'input':\n",
+    "                #     continue\n",
+    "                # if ops[start_atom] == 'output' or ops[end_atom] == 'output':\n",
+    "                #     continue\n",
+    "                # if ops[start_atom] == 'none' or ops[end_atom] == 'none':\n",
+    "                #     continue\n",
     "                \n",
     "                start_index = pt.GetAtomicNumber(op_to_atom[ops[start_atom]]) - 2\n",
     "                end_index = pt.GetAtomicNumber(op_to_atom[ops[end_atom]]) - 2\n",
@@ -16050,30330 +339,16 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 67,
+   "execution_count": null,
    "metadata": {},
-   "outputs": [
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
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-      "[80, 2, 2, 4, 4, 0, 0, 0]\n",
-      "[120, 2, 8, 4, 4, 0, 0, 0]\n",
-      "[160, 2, 8, 4, 6, 0, 0, 0]\n",
-      "[200, 6, 8, 4, 8, 0, 0, 0]\n",
-      "[240, 10, 8, 4, 10, 0, 0, 0]\n",
-      "[280, 10, 8, 4, 10, 0, 0, 0]\n",
-      "[320, 10, 8, 6, 10, 0, 0, 0]\n",
-      "[360, 10, 8, 8, 14, 0, 0, 0]\n",
-      "[400, 10, 8, 8, 14, 0, 0, 0]\n",
-      "[440, 10, 14, 8, 14, 0, 0, 0]\n",
-      "[480, 10, 16, 12, 14, 0, 0, 0]\n",
-      "[520, 10, 16, 12, 14, 0, 0, 0]\n",
-      "[560, 10, 16, 12, 16, 0, 0, 0]\n",
-      "[600, 12, 16, 12, 16, 0, 0, 0]\n",
-      "[640, 12, 16, 14, 20, 0, 0, 0]\n",
-      "[680, 12, 20, 14, 22, 0, 0, 0]\n",
-      "[720, 16, 20, 14, 24, 0, 0, 0]\n",
-      "[760, 16, 24, 16, 24, 0, 0, 0]\n",
-      "[800, 20, 26, 16, 24, 0, 0, 0]\n",
-      "[840, 20, 26, 18, 24, 0, 0, 0]\n",
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-      "[1000, 24, 30, 22, 26, 0, 0, 0]\n",
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-      "[1760, 42, 36, 32, 54, 0, 0, 0]\n",
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-      "[2040, 50, 38, 44, 58, 0, 0, 0]\n",
-      "[2080, 50, 38, 44, 60, 0, 0, 0]\n",
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-      "[2200, 52, 40, 50, 68, 0, 0, 0]\n",
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-      "[2400, 54, 40, 68, 70, 0, 0, 0]\n",
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-      "[2480, 54, 44, 68, 74, 0, 0, 0]\n",
-      "[2520, 54, 46, 72, 74, 0, 0, 0]\n",
-      "[2560, 56, 50, 72, 74, 0, 0, 0]\n",
-      "[2600, 58, 54, 72, 74, 0, 0, 0]\n",
-      "[2640, 58, 56, 76, 74, 0, 0, 0]\n",
-      "[2680, 58, 56, 76, 74, 0, 0, 0]\n",
-      "[2720, 60, 56, 76, 78, 0, 0, 0]\n",
-      "[2760, 60, 56, 76, 84, 0, 0, 0]\n",
-      "[2800, 60, 56, 76, 84, 0, 0, 0]\n",
-      "[2840, 60, 58, 76, 84, 0, 0, 0]\n",
-      "[2880, 60, 58, 78, 84, 0, 0, 0]\n",
-      "[2920, 60, 58, 78, 84, 0, 0, 0]\n",
-      "[2960, 60, 62, 80, 84, 0, 0, 0]\n",
-      "[3000, 60, 62, 80, 84, 0, 0, 0]\n",
-      "[3040, 60, 62, 80, 86, 0, 0, 0]\n",
-      "[3080, 60, 62, 80, 88, 0, 0, 0]\n",
-      "[3120, 60, 62, 82, 92, 0, 0, 0]\n",
-      "[3160, 66, 62, 82, 92, 0, 0, 0]\n",
-      "[3200, 66, 62, 82, 94, 0, 0, 0]\n",
-      "[3240, 66, 62, 82, 94, 0, 0, 0]\n",
-      "[3280, 66, 68, 82, 94, 0, 0, 0]\n",
-      "[3320, 66, 70, 82, 94, 0, 0, 0]\n",
-      "[3360, 70, 70, 82, 96, 0, 0, 0]\n",
-      "[3400, 72, 70, 82, 96, 0, 0, 0]\n",
-      "[3440, 74, 70, 82, 96, 0, 0, 0]\n",
-      "[3480, 76, 70, 82, 96, 0, 0, 0]\n",
-      "[3520, 76, 70, 84, 100, 0, 0, 0]\n",
-      "[3560, 76, 70, 84, 102, 0, 0, 0]\n",
-      "[3600, 78, 70, 84, 102, 0, 0, 0]\n",
-      "[3640, 84, 70, 84, 102, 0, 0, 0]\n",
-      "[3680, 86, 70, 84, 102, 0, 0, 0]\n",
-      "[3720, 86, 70, 86, 106, 0, 0, 0]\n",
-      "[3760, 86, 70, 88, 106, 0, 0, 0]\n",
-      "[3800, 88, 70, 88, 110, 0, 0, 0]\n",
-      "[3840, 88, 70, 92, 112, 0, 0, 0]\n",
-      "[3880, 90, 74, 92, 112, 0, 0, 0]\n",
-      "[3920, 90, 74, 92, 114, 0, 0, 0]\n",
-      "[3960, 90, 74, 94, 118, 0, 0, 0]\n",
-      "[4000, 94, 74, 94, 120, 0, 0, 0]\n",
-      "[4040, 94, 76, 94, 120, 0, 0, 0]\n",
-      "[4080, 94, 80, 94, 122, 0, 0, 0]\n",
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-      "[4160, 96, 82, 98, 126, 0, 0, 0]\n",
-      "[4200, 98, 82, 98, 126, 0, 0, 0]\n",
-      "[4240, 98, 82, 98, 126, 0, 0, 0]\n",
-      "[4280, 98, 82, 98, 126, 0, 0, 0]\n",
-      "[4320, 98, 86, 100, 126, 0, 0, 0]\n",
-      "[4360, 98, 86, 100, 126, 0, 0, 0]\n",
-      "[4400, 98, 88, 100, 126, 0, 0, 0]\n",
-      "[4440, 98, 88, 102, 126, 0, 0, 0]\n",
-      "[4480, 98, 92, 102, 128, 0, 0, 0]\n",
-      "[4520, 98, 94, 102, 128, 0, 0, 0]\n",
-      "[4560, 102, 94, 102, 130, 0, 0, 0]\n",
-      "[4600, 102, 96, 102, 130, 0, 0, 0]\n",
-      "[4640, 102, 96, 104, 130, 0, 0, 0]\n",
-      "[4680, 102, 96, 104, 130, 0, 0, 0]\n",
-      "[4720, 104, 100, 104, 130, 0, 0, 0]\n",
-      "[4760, 104, 100, 106, 130, 0, 0, 0]\n",
-      "[4800, 104, 102, 106, 130, 0, 0, 0]\n",
-      "[4840, 104, 108, 106, 130, 0, 0, 0]\n",
-      "[4880, 104, 110, 106, 130, 0, 0, 0]\n",
-      "[4920, 104, 110, 112, 130, 0, 0, 0]\n",
-      "[4960, 108, 110, 114, 130, 0, 0, 0]\n",
-      "[5000, 108, 110, 114, 132, 0, 0, 0]\n",
-      "[5040, 108, 110, 114, 138, 0, 0, 0]\n",
-      "[5080, 110, 110, 118, 138, 0, 0, 0]\n",
-      "[5120, 110, 110, 118, 138, 0, 0, 0]\n",
-      "[5160, 112, 110, 118, 138, 0, 0, 0]\n",
-      "[5200, 112, 112, 118, 138, 0, 0, 0]\n",
-      "[5240, 112, 112, 124, 138, 0, 0, 0]\n",
-      "[5280, 112, 114, 124, 138, 0, 0, 0]\n",
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-      "[5560, 116, 126, 130, 144, 0, 0, 0]\n",
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-      "[5720, 116, 132, 132, 154, 0, 0, 0]\n",
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-      "[79880, 1904, 1802, 1974, 1968, 0, 0, 0]\n",
-      "[79920, 1904, 1802, 1974, 1974, 0, 0, 0]\n",
-      "[79960, 1904, 1802, 1976, 1974, 0, 0, 0]\n",
-      "[80000, 1904, 1804, 1976, 1978, 0, 0, 0]\n",
-      "[80040, 1904, 1810, 1976, 1978, 0, 0, 0]\n",
-      "[80080, 1904, 1810, 1978, 1982, 0, 0, 0]\n",
-      "[80120, 1904, 1812, 1982, 1982, 0, 0, 0]\n",
-      "[80160, 1904, 1814, 1986, 1982, 0, 0, 0]\n",
-      "[80200, 1904, 1814, 1986, 1984, 0, 0, 0]\n",
-      "[80240, 1904, 1820, 1986, 1984, 0, 0, 0]\n",
-      "[80280, 1904, 1820, 1986, 1986, 0, 0, 0]\n",
-      "[80320, 1904, 1820, 1986, 1986, 0, 0, 0]\n",
-      "[80360, 1904, 1824, 1988, 1986, 0, 0, 0]\n",
-      "[80400, 1904, 1824, 1992, 1988, 0, 0, 0]\n",
-      "[80440, 1904, 1826, 1992, 1988, 0, 0, 0]\n",
-      "[80480, 1910, 1826, 1992, 1988, 0, 0, 0]\n",
-      "[80520, 1910, 1828, 1992, 1992, 0, 0, 0]\n",
-      "[80560, 1914, 1830, 1992, 1992, 0, 0, 0]\n",
-      "[80600, 1914, 1830, 1992, 1992, 0, 0, 0]\n",
-      "[80640, 1914, 1836, 1992, 1992, 0, 0, 0]\n",
-      "[80680, 1916, 1836, 1992, 1992, 0, 0, 0]\n",
-      "[80720, 1916, 1840, 1992, 1994, 0, 0, 0]\n",
-      "[80760, 1918, 1844, 1992, 1994, 0, 0, 0]\n",
-      "[80800, 1918, 1844, 1994, 1994, 0, 0, 0]\n",
-      "[80840, 1918, 1844, 1994, 1994, 0, 0, 0]\n",
-      "[80880, 1920, 1848, 1994, 1994, 0, 0, 0]\n",
-      "[80920, 1920, 1850, 1994, 1994, 0, 0, 0]\n",
-      "[80960, 1920, 1850, 1994, 2000, 0, 0, 0]\n",
-      "[81000, 1920, 1850, 1994, 2006, 0, 0, 0]\n",
-      "[81040, 1920, 1850, 1994, 2012, 0, 0, 0]\n",
-      "[81080, 1924, 1850, 1994, 2014, 0, 0, 0]\n",
-      "[81120, 1924, 1854, 1994, 2016, 0, 0, 0]\n",
-      "[81160, 1924, 1854, 1996, 2016, 0, 0, 0]\n",
-      "[81200, 1924, 1854, 1996, 2018, 0, 0, 0]\n",
-      "[81240, 1924, 1860, 1996, 2018, 0, 0, 0]\n",
-      "[81280, 1924, 1862, 1996, 2018, 0, 0, 0]\n",
-      "[81320, 1924, 1862, 1996, 2018, 0, 0, 0]\n",
-      "[81360, 1924, 1864, 1996, 2018, 0, 0, 0]\n",
-      "[81400, 1924, 1864, 1996, 2018, 0, 0, 0]\n",
-      "[81440, 1924, 1864, 1996, 2020, 0, 0, 0]\n",
-      "[81480, 1926, 1864, 1996, 2020, 0, 0, 0]\n",
-      "[81520, 1926, 1866, 1996, 2020, 0, 0, 0]\n",
-      "[81560, 1928, 1866, 1996, 2020, 0, 0, 0]\n",
-      "[81600, 1932, 1866, 1998, 2020, 0, 0, 0]\n",
-      "[81640, 1932, 1866, 1998, 2020, 0, 0, 0]\n",
-      "[81680, 1932, 1866, 1998, 2026, 0, 0, 0]\n",
-      "[81720, 1932, 1866, 1998, 2028, 0, 0, 0]\n",
-      "[81760, 1934, 1866, 1998, 2032, 0, 0, 0]\n",
-      "[81800, 1934, 1866, 2002, 2034, 0, 0, 0]\n",
-      "[81840, 1936, 1866, 2002, 2038, 0, 0, 0]\n",
-      "[81880, 1940, 1866, 2004, 2038, 0, 0, 0]\n",
-      "[81920, 1940, 1866, 2004, 2038, 0, 0, 0]\n",
-      "[81960, 1942, 1866, 2004, 2042, 0, 0, 0]\n",
-      "[82000, 1944, 1866, 2008, 2042, 0, 0, 0]\n",
-      "[82040, 1946, 1866, 2008, 2046, 0, 0, 0]\n",
-      "[82080, 1946, 1870, 2008, 2048, 0, 0, 0]\n",
-      "[82120, 1946, 1872, 2008, 2052, 0, 0, 0]\n",
-      "[82160, 1946, 1874, 2008, 2052, 0, 0, 0]\n",
-      "[82200, 1946, 1876, 2008, 2052, 0, 0, 0]\n",
-      "[82240, 1946, 1876, 2008, 2052, 0, 0, 0]\n",
-      "[82280, 1946, 1876, 2008, 2052, 0, 0, 0]\n",
-      "[82320, 1948, 1876, 2008, 2052, 0, 0, 0]\n",
-      "[82360, 1948, 1878, 2008, 2052, 0, 0, 0]\n",
-      "[82400, 1948, 1884, 2008, 2052, 0, 0, 0]\n",
-      "[82440, 1948, 1890, 2008, 2052, 0, 0, 0]\n",
-      "[82480, 1950, 1890, 2008, 2052, 0, 0, 0]\n",
-      "[82520, 1952, 1890, 2012, 2052, 0, 0, 0]\n",
-      "[82560, 1952, 1890, 2012, 2054, 0, 0, 0]\n",
-      "[82600, 1952, 1890, 2018, 2054, 0, 0, 0]\n",
-      "[82640, 1952, 1890, 2020, 2054, 0, 0, 0]\n",
-      "[82680, 1954, 1894, 2020, 2054, 0, 0, 0]\n",
-      "[82720, 1954, 1894, 2020, 2056, 0, 0, 0]\n",
-      "[82760, 1954, 1894, 2022, 2056, 0, 0, 0]\n",
-      "[82800, 1954, 1894, 2022, 2058, 0, 0, 0]\n",
-      "[82840, 1954, 1894, 2022, 2064, 0, 0, 0]\n",
-      "[82880, 1954, 1894, 2022, 2070, 0, 0, 0]\n",
-      "[82920, 1954, 1896, 2022, 2070, 0, 0, 0]\n",
-      "[82960, 1954, 1896, 2022, 2070, 0, 0, 0]\n",
-      "[83000, 1960, 1896, 2022, 2070, 0, 0, 0]\n",
-      "[83040, 1960, 1896, 2026, 2072, 0, 0, 0]\n",
-      "[83080, 1960, 1896, 2026, 2072, 0, 0, 0]\n",
-      "[83120, 1960, 1896, 2028, 2072, 0, 0, 0]\n",
-      "[83160, 1960, 1896, 2030, 2072, 0, 0, 0]\n",
-      "[83200, 1960, 1896, 2036, 2072, 0, 0, 0]\n",
-      "[83240, 1960, 1896, 2038, 2076, 0, 0, 0]\n",
-      "[83280, 1962, 1896, 2038, 2080, 0, 0, 0]\n",
-      "[83320, 1962, 1896, 2038, 2086, 0, 0, 0]\n",
-      "[83360, 1962, 1898, 2038, 2086, 0, 0, 0]\n",
-      "[83400, 1962, 1898, 2038, 2086, 0, 0, 0]\n",
-      "[83440, 1964, 1898, 2038, 2086, 0, 0, 0]\n",
-      "[83480, 1964, 1898, 2040, 2086, 0, 0, 0]\n",
-      "[83520, 1964, 1902, 2042, 2086, 0, 0, 0]\n",
-      "[83560, 1966, 1906, 2042, 2086, 0, 0, 0]\n",
-      "[83600, 1968, 1910, 2042, 2086, 0, 0, 0]\n",
-      "[83640, 1968, 1912, 2046, 2086, 0, 0, 0]\n",
-      "[83680, 1968, 1912, 2048, 2086, 0, 0, 0]\n",
-      "[83720, 1970, 1912, 2048, 2086, 0, 0, 0]\n",
-      "[83760, 1970, 1912, 2048, 2086, 0, 0, 0]\n",
-      "[83800, 1972, 1912, 2048, 2086, 0, 0, 0]\n",
-      "[83840, 1972, 1912, 2048, 2086, 0, 0, 0]\n",
-      "[83880, 1974, 1912, 2052, 2086, 0, 0, 0]\n",
-      "[83920, 1974, 1912, 2052, 2086, 0, 0, 0]\n",
-      "[83960, 1976, 1912, 2056, 2086, 0, 0, 0]\n",
-      "[84000, 1978, 1912, 2056, 2086, 0, 0, 0]\n",
-      "[84040, 1982, 1914, 2056, 2086, 0, 0, 0]\n",
-      "[84080, 1984, 1914, 2056, 2086, 0, 0, 0]\n",
-      "[84120, 1984, 1916, 2056, 2090, 0, 0, 0]\n",
-      "[84160, 1984, 1918, 2056, 2090, 0, 0, 0]\n",
-      "[84200, 1984, 1918, 2056, 2096, 0, 0, 0]\n",
-      "[84240, 1984, 1918, 2058, 2096, 0, 0, 0]\n",
-      "[84280, 1984, 1920, 2058, 2096, 0, 0, 0]\n",
-      "[84320, 1986, 1920, 2062, 2096, 0, 0, 0]\n",
-      "[84360, 1986, 1920, 2064, 2096, 0, 0, 0]\n",
-      "[84400, 1992, 1920, 2064, 2096, 0, 0, 0]\n",
-      "[84440, 1992, 1920, 2066, 2100, 0, 0, 0]\n",
-      "[84480, 1992, 1920, 2072, 2100, 0, 0, 0]\n",
-      "[84520, 1994, 1920, 2072, 2100, 0, 0, 0]\n",
-      "[84560, 1994, 1920, 2072, 2100, 0, 0, 0]\n",
-      "[84600, 1994, 1920, 2072, 2102, 0, 0, 0]\n",
-      "[84640, 1994, 1920, 2072, 2108, 0, 0, 0]\n",
-      "[84680, 1996, 1920, 2072, 2108, 0, 0, 0]\n",
-      "[84720, 2000, 1922, 2072, 2108, 0, 0, 0]\n",
-      "[84760, 2000, 1924, 2072, 2108, 0, 0, 0]\n",
-      "[84800, 2000, 1924, 2072, 2108, 0, 0, 0]\n",
-      "[84840, 2002, 1924, 2072, 2112, 0, 0, 0]\n",
-      "[84880, 2002, 1926, 2072, 2112, 0, 0, 0]\n",
-      "[84920, 2002, 1928, 2072, 2112, 0, 0, 0]\n",
-      "[84960, 2002, 1930, 2072, 2112, 0, 0, 0]\n",
-      "[85000, 2008, 1930, 2072, 2112, 0, 0, 0]\n",
-      "[85040, 2008, 1930, 2074, 2112, 0, 0, 0]\n",
-      "[85080, 2012, 1932, 2074, 2112, 0, 0, 0]\n",
-      "[85120, 2014, 1932, 2074, 2112, 0, 0, 0]\n",
-      "[85160, 2018, 1932, 2074, 2114, 0, 0, 0]\n",
-      "[85200, 2018, 1932, 2076, 2114, 0, 0, 0]\n",
-      "[85240, 2018, 1934, 2080, 2114, 0, 0, 0]\n",
-      "[85280, 2022, 1934, 2082, 2114, 0, 0, 0]\n",
-      "[85320, 2022, 1934, 2082, 2114, 0, 0, 0]\n",
-      "[85360, 2022, 1936, 2082, 2114, 0, 0, 0]\n",
-      "[85400, 2022, 1936, 2082, 2114, 0, 0, 0]\n",
-      "[85440, 2022, 1936, 2082, 2116, 0, 0, 0]\n",
-      "[85480, 2022, 1936, 2082, 2116, 0, 0, 0]\n",
-      "[85520, 2022, 1936, 2084, 2116, 0, 0, 0]\n",
-      "[85560, 2024, 1936, 2088, 2116, 0, 0, 0]\n",
-      "[85600, 2026, 1936, 2088, 2120, 0, 0, 0]\n",
-      "[85640, 2026, 1936, 2090, 2124, 0, 0, 0]\n",
-      "[85680, 2026, 1936, 2090, 2126, 0, 0, 0]\n",
-      "[85720, 2028, 1940, 2090, 2126, 0, 0, 0]\n",
-      "[85760, 2028, 1940, 2096, 2126, 0, 0, 0]\n",
-      "[85800, 2028, 1940, 2102, 2126, 0, 0, 0]\n",
-      "[85840, 2028, 1940, 2106, 2128, 0, 0, 0]\n",
-      "[85880, 2028, 1942, 2106, 2128, 0, 0, 0]\n",
-      "[85920, 2030, 1942, 2110, 2128, 0, 0, 0]\n",
-      "[85960, 2036, 1942, 2110, 2128, 0, 0, 0]\n",
-      "[86000, 2036, 1946, 2112, 2128, 0, 0, 0]\n",
-      "[86040, 2038, 1946, 2116, 2128, 0, 0, 0]\n",
-      "[86080, 2038, 1946, 2116, 2128, 0, 0, 0]\n",
-      "[86120, 2038, 1946, 2116, 2128, 0, 0, 0]\n",
-      "[86160, 2038, 1946, 2118, 2128, 0, 0, 0]\n",
-      "[86200, 2038, 1946, 2120, 2128, 0, 0, 0]\n",
-      "[86240, 2038, 1948, 2124, 2128, 0, 0, 0]\n",
-      "[86280, 2038, 1952, 2126, 2128, 0, 0, 0]\n",
-      "[86320, 2038, 1952, 2126, 2130, 0, 0, 0]\n",
-      "[86360, 2038, 1952, 2126, 2132, 0, 0, 0]\n",
-      "[86400, 2040, 1952, 2130, 2132, 0, 0, 0]\n",
-      "[86440, 2042, 1952, 2130, 2132, 0, 0, 0]\n",
-      "[86480, 2042, 1952, 2132, 2132, 0, 0, 0]\n",
-      "[86520, 2042, 1954, 2132, 2132, 0, 0, 0]\n",
-      "[86560, 2042, 1958, 2132, 2134, 0, 0, 0]\n",
-      "[86600, 2042, 1958, 2132, 2136, 0, 0, 0]\n",
-      "[86640, 2044, 1958, 2132, 2136, 0, 0, 0]\n",
-      "[86680, 2048, 1958, 2134, 2136, 0, 0, 0]\n",
-      "[86720, 2048, 1964, 2134, 2136, 0, 0, 0]\n",
-      "[86760, 2048, 1966, 2134, 2136, 0, 0, 0]\n",
-      "[86800, 2048, 1966, 2134, 2142, 0, 0, 0]\n",
-      "[86840, 2048, 1966, 2136, 2146, 0, 0, 0]\n",
-      "[86880, 2048, 1966, 2136, 2148, 0, 0, 0]\n",
-      "[86920, 2048, 1966, 2136, 2150, 0, 0, 0]\n",
-      "[86960, 2048, 1968, 2140, 2150, 0, 0, 0]\n",
-      "[87000, 2048, 1968, 2142, 2150, 0, 0, 0]\n",
-      "[87040, 2052, 1968, 2142, 2152, 0, 0, 0]\n",
-      "[87080, 2052, 1968, 2142, 2152, 0, 0, 0]\n",
-      "[87120, 2052, 1968, 2142, 2154, 0, 0, 0]\n",
-      "[87160, 2052, 1968, 2144, 2154, 0, 0, 0]\n",
-      "[87200, 2052, 1968, 2148, 2156, 0, 0, 0]\n",
-      "[87240, 2054, 1968, 2152, 2156, 0, 0, 0]\n",
-      "[87280, 2054, 1968, 2152, 2156, 0, 0, 0]\n",
-      "[87320, 2054, 1968, 2152, 2158, 0, 0, 0]\n",
-      "[87360, 2054, 1970, 2152, 2158, 0, 0, 0]\n",
-      "[87400, 2054, 1970, 2154, 2158, 0, 0, 0]\n",
-      "[87440, 2056, 1970, 2158, 2158, 0, 0, 0]\n",
-      "[87480, 2060, 1972, 2158, 2158, 0, 0, 0]\n",
-      "[87520, 2060, 1978, 2158, 2158, 0, 0, 0]\n",
-      "[87560, 2060, 1984, 2158, 2158, 0, 0, 0]\n",
-      "[87600, 2060, 1984, 2160, 2158, 0, 0, 0]\n",
-      "[87640, 2060, 1984, 2162, 2158, 0, 0, 0]\n",
-      "[87680, 2060, 1984, 2162, 2160, 0, 0, 0]\n",
-      "[87720, 2062, 1988, 2162, 2160, 0, 0, 0]\n",
-      "[87760, 2062, 1988, 2162, 2160, 0, 0, 0]\n",
-      "[87800, 2062, 1988, 2162, 2160, 0, 0, 0]\n",
-      "[87840, 2062, 1988, 2168, 2160, 0, 0, 0]\n",
-      "[87880, 2062, 1988, 2168, 2160, 0, 0, 0]\n",
-      "[87920, 2062, 1988, 2168, 2166, 0, 0, 0]\n",
-      "[87960, 2062, 1988, 2168, 2168, 0, 0, 0]\n",
-      "[88000, 2062, 1994, 2168, 2168, 0, 0, 0]\n",
-      "[88040, 2062, 2000, 2168, 2168, 0, 0, 0]\n",
-      "[88080, 2062, 2000, 2174, 2168, 0, 0, 0]\n",
-      "[88120, 2066, 2002, 2174, 2168, 0, 0, 0]\n",
-      "[88160, 2066, 2002, 2178, 2170, 0, 0, 0]\n",
-      "[88200, 2070, 2002, 2178, 2172, 0, 0, 0]\n",
-      "[88240, 2074, 2002, 2180, 2172, 0, 0, 0]\n",
-      "[88280, 2074, 2004, 2180, 2172, 0, 0, 0]\n",
-      "[88320, 2074, 2004, 2180, 2172, 0, 0, 0]\n",
-      "[88360, 2076, 2004, 2180, 2172, 0, 0, 0]\n",
-      "[88400, 2078, 2004, 2180, 2172, 0, 0, 0]\n",
-      "[88440, 2078, 2006, 2180, 2176, 0, 0, 0]\n",
-      "[88480, 2078, 2006, 2180, 2176, 0, 0, 0]\n",
-      "[88520, 2078, 2010, 2180, 2178, 0, 0, 0]\n",
-      "[88560, 2080, 2010, 2180, 2182, 0, 0, 0]\n",
-      "[88600, 2080, 2010, 2182, 2182, 0, 0, 0]\n",
-      "[88640, 2082, 2010, 2182, 2182, 0, 0, 0]\n",
-      "[88680, 2084, 2010, 2182, 2182, 0, 0, 0]\n",
-      "[88720, 2084, 2014, 2184, 2182, 0, 0, 0]\n",
-      "[88760, 2084, 2014, 2184, 2184, 0, 0, 0]\n",
-      "[88800, 2084, 2016, 2184, 2184, 0, 0, 0]\n",
-      "[88840, 2084, 2016, 2186, 2188, 0, 0, 0]\n",
-      "[88880, 2084, 2016, 2186, 2190, 0, 0, 0]\n",
-      "[88920, 2084, 2018, 2186, 2194, 0, 0, 0]\n",
-      "[88960, 2084, 2020, 2186, 2194, 0, 0, 0]\n",
-      "[89000, 2090, 2020, 2186, 2194, 0, 0, 0]\n",
-      "[89040, 2094, 2022, 2186, 2194, 0, 0, 0]\n",
-      "[89080, 2094, 2022, 2186, 2194, 0, 0, 0]\n",
-      "[89120, 2096, 2022, 2186, 2194, 0, 0, 0]\n",
-      "[89160, 2096, 2022, 2186, 2194, 0, 0, 0]\n",
-      "[89200, 2096, 2024, 2190, 2194, 0, 0, 0]\n",
-      "[89240, 2096, 2024, 2194, 2196, 0, 0, 0]\n",
-      "[89280, 2096, 2026, 2194, 2200, 0, 0, 0]\n",
-      "[89320, 2096, 2026, 2194, 2202, 0, 0, 0]\n",
-      "[89360, 2102, 2026, 2194, 2202, 0, 0, 0]\n",
-      "[89400, 2102, 2026, 2196, 2202, 0, 0, 0]\n",
-      "[89440, 2102, 2028, 2196, 2202, 0, 0, 0]\n",
-      "[89480, 2102, 2030, 2196, 2202, 0, 0, 0]\n",
-      "[89520, 2102, 2030, 2202, 2202, 0, 0, 0]\n",
-      "[89560, 2104, 2030, 2206, 2202, 0, 0, 0]\n",
-      "[89600, 2106, 2030, 2206, 2206, 0, 0, 0]\n",
-      "[89640, 2112, 2030, 2206, 2206, 0, 0, 0]\n",
-      "[89680, 2112, 2030, 2206, 2208, 0, 0, 0]\n",
-      "[89720, 2112, 2032, 2206, 2212, 0, 0, 0]\n",
-      "[89760, 2116, 2032, 2208, 2212, 0, 0, 0]\n",
-      "[89800, 2116, 2032, 2208, 2218, 0, 0, 0]\n",
-      "[89840, 2118, 2032, 2208, 2218, 0, 0, 0]\n",
-      "[89880, 2122, 2034, 2208, 2218, 0, 0, 0]\n",
-      "[89920, 2124, 2034, 2208, 2218, 0, 0, 0]\n",
-      "[89960, 2124, 2036, 2212, 2218, 0, 0, 0]\n",
-      "[90000, 2126, 2036, 2212, 2218, 0, 0, 0]\n",
-      "[90040, 2126, 2038, 2212, 2218, 0, 0, 0]\n",
-      "[90080, 2126, 2038, 2214, 2218, 0, 0, 0]\n",
-      "[90120, 2126, 2042, 2214, 2220, 0, 0, 0]\n",
-      "[90160, 2126, 2046, 2216, 2220, 0, 0, 0]\n",
-      "[90200, 2126, 2046, 2218, 2220, 0, 0, 0]\n",
-      "[90240, 2126, 2046, 2220, 2220, 0, 0, 0]\n",
-      "[90280, 2130, 2048, 2220, 2220, 0, 0, 0]\n",
-      "[90320, 2130, 2050, 2220, 2224, 0, 0, 0]\n",
-      "[90360, 2130, 2050, 2220, 2224, 0, 0, 0]\n",
-      "[90400, 2132, 2050, 2220, 2224, 0, 0, 0]\n",
-      "[90440, 2132, 2054, 2220, 2226, 0, 0, 0]\n",
-      "[90480, 2132, 2054, 2222, 2226, 0, 0, 0]\n",
-      "[90520, 2132, 2056, 2222, 2226, 0, 0, 0]\n",
-      "[90560, 2132, 2058, 2222, 2226, 0, 0, 0]\n",
-      "[90600, 2132, 2060, 2222, 2226, 0, 0, 0]\n",
-      "[90640, 2132, 2060, 2224, 2226, 0, 0, 0]\n",
-      "[90680, 2132, 2060, 2224, 2226, 0, 0, 0]\n",
-      "[90720, 2132, 2062, 2228, 2226, 0, 0, 0]\n",
-      "[90760, 2134, 2062, 2228, 2226, 0, 0, 0]\n",
-      "[90800, 2134, 2064, 2228, 2226, 0, 0, 0]\n",
-      "[90840, 2138, 2066, 2228, 2226, 0, 0, 0]\n",
-      "[90880, 2138, 2066, 2230, 2226, 0, 0, 0]\n",
-      "[90920, 2138, 2070, 2230, 2228, 0, 0, 0]\n",
-      "[90960, 2138, 2070, 2232, 2228, 0, 0, 0]\n",
-      "[91000, 2138, 2070, 2232, 2230, 0, 0, 0]\n",
-      "[91040, 2140, 2070, 2232, 2230, 0, 0, 0]\n",
-      "[91080, 2140, 2070, 2234, 2230, 0, 0, 0]\n",
-      "[91120, 2140, 2070, 2234, 2230, 0, 0, 0]\n",
-      "[91160, 2144, 2070, 2234, 2232, 0, 0, 0]\n",
-      "[91200, 2144, 2070, 2234, 2232, 0, 0, 0]\n",
-      "[91240, 2144, 2072, 2238, 2232, 0, 0, 0]\n",
-      "[91280, 2144, 2072, 2238, 2234, 0, 0, 0]\n",
-      "[91320, 2144, 2078, 2238, 2234, 0, 0, 0]\n",
-      "[91360, 2144, 2082, 2238, 2236, 0, 0, 0]\n",
-      "[91400, 2144, 2082, 2238, 2236, 0, 0, 0]\n",
-      "[91440, 2144, 2088, 2238, 2236, 0, 0, 0]\n",
-      "[91480, 2144, 2088, 2240, 2240, 0, 0, 0]\n",
-      "[91520, 2146, 2088, 2240, 2244, 0, 0, 0]\n",
-      "[91560, 2146, 2088, 2240, 2246, 0, 0, 0]\n",
-      "[91600, 2150, 2088, 2242, 2246, 0, 0, 0]\n",
-      "[91640, 2152, 2088, 2242, 2250, 0, 0, 0]\n",
-      "[91680, 2152, 2090, 2242, 2254, 0, 0, 0]\n",
-      "[91720, 2152, 2092, 2242, 2258, 0, 0, 0]\n",
-      "[91760, 2152, 2092, 2244, 2258, 0, 0, 0]\n",
-      "[91800, 2154, 2092, 2244, 2262, 0, 0, 0]\n",
-      "[91840, 2156, 2092, 2244, 2262, 0, 0, 0]\n",
-      "[91880, 2156, 2092, 2244, 2262, 0, 0, 0]\n",
-      "[91920, 2158, 2092, 2244, 2262, 0, 0, 0]\n",
-      "[91960, 2160, 2092, 2244, 2262, 0, 0, 0]\n",
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-      "[624480, 14996, 14982, 14988, 14986, 0, 0, 0]\n",
-      "[624520, 14996, 14984, 14992, 14986, 0, 0, 0]\n",
-      "[624560, 14998, 14984, 14992, 14990, 0, 0, 0]\n",
-      "[624600, 14998, 14984, 14992, 14990, 0, 0, 0]\n",
-      "[624640, 14998, 14986, 14992, 14994, 0, 0, 0]\n",
-      "[624680, 14998, 14986, 14992, 14994, 0, 0, 0]\n",
-      "[624720, 14998, 14988, 14996, 14994, 0, 0, 0]\n",
-      "[624760, 14998, 14988, 14996, 14994, 0, 0, 0]\n",
-      "[624800, 14998, 14988, 14996, 15000, 0, 0, 0]\n",
-      "[624840, 14998, 14988, 14998, 15000, 0, 0, 0]\n",
-      "[624880, 14998, 14994, 14998, 15000, 0, 0, 0]\n",
-      "[624920, 14998, 15000, 14998, 15000, 0, 0, 0]\n",
-      "[624960, 14998, 15000, 15000, 15000, 0, 0, 0]\n",
-      "[625000, 15000, 15000, 15000, 15000, 0, 0, 0]\n",
-      "processed meta info: ------ nasbench-201 ------\n",
-      "len atom_count_list 118\n",
-      "len atom_name_list 118\n",
-      "have an edge at i=0 , j=4, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=0 , j=5, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=0 , j=6, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=0 , j=12, transition_E[i][j]=[31250.     0.     0.     0.     0.]\n",
-      "have an edge at i=0 , j=13, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=0 , j=14, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=4 , j=0, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=4 , j=4, transition_E[i][j]=[30000.  7500.     0.     0.     0.]\n",
-      "have an edge at i=4 , j=5, transition_E[i][j]=[30000.  3750.  3750.     0.     0.]\n",
-      "have an edge at i=4 , j=6, transition_E[i][j]=[30000.  3750.     0.  3750.     0.]\n",
-      "have an edge at i=4 , j=12, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=4 , j=13, transition_E[i][j]=[30000.  3750.     0.     0.  3750.]\n",
-      "have an edge at i=4 , j=14, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=5 , j=0, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=5 , j=4, transition_E[i][j]=[30000.  3750.  3750.     0.     0.]\n",
-      "have an edge at i=5 , j=5, transition_E[i][j]=[30000.     0.  7500.     0.     0.]\n",
-      "have an edge at i=5 , j=6, transition_E[i][j]=[30000.     0.  3750.  3750.     0.]\n",
-      "have an edge at i=5 , j=12, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=5 , j=13, transition_E[i][j]=[30000.     0.  3750.     0.  3750.]\n",
-      "have an edge at i=5 , j=14, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=6 , j=0, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=6 , j=4, transition_E[i][j]=[30000.  3750.     0.  3750.     0.]\n",
-      "have an edge at i=6 , j=5, transition_E[i][j]=[30000.     0.  3750.  3750.     0.]\n",
-      "have an edge at i=6 , j=6, transition_E[i][j]=[30000.     0.     0.  7500.     0.]\n",
-      "have an edge at i=6 , j=12, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=6 , j=13, transition_E[i][j]=[30000.     0.     0.  3750.  3750.]\n",
-      "have an edge at i=6 , j=14, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=12 , j=0, transition_E[i][j]=[31250.     0.     0.     0.     0.]\n",
-      "have an edge at i=12 , j=4, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=12 , j=5, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=12 , j=6, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=12 , j=13, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=12 , j=14, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=13 , j=0, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=13 , j=4, transition_E[i][j]=[30000.  3750.     0.     0.  3750.]\n",
-      "have an edge at i=13 , j=5, transition_E[i][j]=[30000.     0.  3750.     0.  3750.]\n",
-      "have an edge at i=13 , j=6, transition_E[i][j]=[30000.     0.     0.  3750.  3750.]\n",
-      "have an edge at i=13 , j=12, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=13 , j=13, transition_E[i][j]=[30000.     0.     0.     0.  7500.]\n",
-      "have an edge at i=13 , j=14, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=14 , j=0, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=14 , j=4, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=14 , j=5, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=14 , j=6, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=14 , j=12, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=14 , j=13, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "have an edge at i=14 , j=14, transition_E[i][j]=[37500.     0.     0.     0.     0.]\n",
-      "i=4, j=4, 2_transition_E[i][j][0]=0.8\n",
-      "i=4, j=5, 2_transition_E[i][j][0]=0.8\n",
-      "i=4, j=6, 2_transition_E[i][j][0]=0.8\n",
-      "i=4, j=13, 2_transition_E[i][j][0]=0.8\n",
-      "i=5, j=4, 2_transition_E[i][j][0]=0.8\n",
-      "i=5, j=5, 2_transition_E[i][j][0]=0.8\n",
-      "i=5, j=6, 2_transition_E[i][j][0]=0.8\n",
-      "i=5, j=13, 2_transition_E[i][j][0]=0.8\n",
-      "i=6, j=4, 2_transition_E[i][j][0]=0.8\n",
-      "i=6, j=5, 2_transition_E[i][j][0]=0.8\n",
-      "i=6, j=6, 2_transition_E[i][j][0]=0.8\n",
-      "i=6, j=13, 2_transition_E[i][j][0]=0.8\n",
-      "i=13, j=4, 2_transition_E[i][j][0]=0.8\n",
-      "i=13, j=5, 2_transition_E[i][j][0]=0.8\n",
-      "i=13, j=6, 2_transition_E[i][j][0]=0.8\n",
-      "i=13, j=13, 2_transition_E[i][j][0]=0.8\n"
-     ]
-    },
-    {
-     "data": {
-      "text/plain": [
-       "{'source': 'nasbench-201',\n",
-       " 'num_graph': 15625,\n",
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-       "  0.0],\n",
-       " 'max_node': 8,\n",
-       " 'max_bond': 8,\n",
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-       " 'bond_type_dist': [0.9124087591240876,\n",
-       "  0.021897810218978103,\n",
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-       " 'valencies': [0.125,\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0]],\n",
-       "  [[1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [0.8, 0.2, 0.0, 0.0, 0.0],\n",
-       "   [0.8, 0.1, 0.1, 0.0, 0.0],\n",
-       "   [0.8, 0.1, 0.0, 0.1, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [0.8, 0.1, 0.0, 0.0, 0.1],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0]],\n",
-       "  [[1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [0.8, 0.1, 0.1, 0.0, 0.0],\n",
-       "   [0.8, 0.0, 0.2, 0.0, 0.0],\n",
-       "   [0.8, 0.0, 0.1, 0.1, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [0.8, 0.0, 0.1, 0.0, 0.1],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0]],\n",
-       "  [[1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [0.8, 0.1, 0.0, 0.1, 0.0],\n",
-       "   [0.8, 0.0, 0.1, 0.1, 0.0],\n",
-       "   [0.8, 0.0, 0.0, 0.2, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [0.8, 0.0, 0.0, 0.1, 0.1],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
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-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0],\n",
-       "   [1.0, 0.0, 0.0, 0.0, 0.0]]]}"
-      ]
-     },
-     "execution_count": 67,
-     "metadata": {},
-     "output_type": "execute_result"
-    }
-   ],
+   "outputs": [],
    "source": [
     "graphs_to_json(graphs, 'nasbench-201')"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 53,
+   "execution_count": 62,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -46387,7 +362,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 59,
+   "execution_count": 63,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -46441,7 +416,9 @@
     "\n",
     "        def arch_to_graph(arch_str, sa, sc, target, target2=None, target3=None):\n",
     "            nodes, edges = parse_architecture_string(arch_str)\n",
+    "\n",
     "            node_labels = [bonds[node] for node in nodes]  # Replace with appropriate encoding if necessary\n",
+    "            assert 0 not in node_labels, f'Invalid node label: {node_labels}'\n",
     "            x = torch.LongTensor(node_labels)\n",
     "\n",
     "            edges_list = [(start, end) for start, end in edges]\n",
@@ -46465,9 +442,9 @@
     "            'nor_conv_3x3': 2,\n",
     "            'avg_pool_3x3': 3,\n",
     "            'skip_connect': 4,\n",
-    "            'input': 7,\n",
     "            'output': 5,\n",
-    "            'none': 6\n",
+    "            'none': 6,\n",
+    "            'input': 7\n",
     "        }\n",
     "\n",
     "        # Prepare to process NAS-Bench-201 data\n",
@@ -46492,7 +469,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 55,
+   "execution_count": null,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -46501,7 +478,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 56,
+   "execution_count": 84,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -46518,6 +495,8 @@
     "from datasets.abstract_dataset import AbstractDatasetInfos, AbstractDataModule\n",
     "from diffusion.distributions import DistributionNodes\n",
     "\n",
+    "from rdkit.Chem import rdchem\n",
+    "\n",
     "class DataModule(AbstractDataModule):\n",
     "    def __init__(self, cfg):\n",
     "        self.datadir = cfg.dataset.datadir\n",
@@ -46594,8 +573,93 @@
     "        print(self.task, ' dataset len', len(dataset), 'train len', len(train_index), 'val len', len(val_index), 'test len', len(test_index))\n",
     "        return train_index, val_index, test_index, []\n",
     "\n",
+    "    def parse_architecture_string(arch_str):\n",
+    "            stages = arch_str.split('+')\n",
+    "            nodes = ['input']\n",
+    "            edges = []\n",
+    "            \n",
+    "            for stage in stages:\n",
+    "                operations = stage.strip('|').split('|')\n",
+    "                for op in operations:\n",
+    "                    operation, idx = op.split('~')\n",
+    "                    idx = int(idx)\n",
+    "                    edges.append((idx, len(nodes)))  # Add edge from idx to the new node\n",
+    "                    nodes.append(operation)\n",
+    "            nodes.append('output')  # Add the output node\n",
+    "            return nodes, edges\n",
+    "\n",
+    "    def create_molecule_from_graph(nodes, edges):\n",
+    "        mol = Chem.RWMol()  # RWMol allows for building the molecule step by step\n",
+    "        atom_indices = {}\n",
+    "        num_to_op = {\n",
+    "            1 :'nor_conv_1x1',\n",
+    "            2 :'nor_conv_3x3',\n",
+    "            3 :'avg_pool_3x3',\n",
+    "            4 :'skip_connect',\n",
+    "            5 :'output',\n",
+    "            6 :'none',\n",
+    "            7 :'input'\n",
+    "        } \n",
+    "\n",
+    "        # Extract node operations from the data object\n",
+    "\n",
+    "        # Add atoms to the molecule\n",
+    "        for i, op_tensor in enumerate(nodes):\n",
+    "            op = op_tensor.item()\n",
+    "            if op == 0: continue\n",
+    "            op = num_to_op[op]\n",
+    "            atom_symbol = op_to_atom[op]\n",
+    "            atom = Chem.Atom(atom_symbol)\n",
+    "            atom_idx = mol.AddAtom(atom)\n",
+    "            atom_indices[i] = atom_idx\n",
+    "        \n",
+    "        # Add bonds to the molecule\n",
+    "        edge_number = edges.shape[1]\n",
+    "        for i in range(edge_number):\n",
+    "            start = edges[0, i].item()\n",
+    "            end = edges[1, i].item()\n",
+    "            mol.AddBond(atom_indices[start], atom_indices[end], rdchem.BondType.SINGLE)\n",
+    "        \n",
+    "        return mol\n",
+    "\n",
+    "    def arch_str_to_smiles(self, arch_str):\n",
+    "        nodes, edges = self.parse_architecture_string(arch_str)\n",
+    "        mol = self.create_molecule_from_graph(nodes, edges)\n",
+    "        smiles = Chem.MolToSmiles(mol)\n",
+    "        return smiles\n",
+    "\n",
     "    def get_train_smiles(self):\n",
-    "        raise NotImplementedError(\"This method is not applicable for NAS-Bench-201 data.\")\n",
+    "        # raise NotImplementedError(\"This method is not applicable for NAS-Bench-201 data.\")\n",
+    "        # train_arch_strs = []\n",
+    "        # test_arch_strs = []\n",
+    "\n",
+    "        # for idx in self.train_index:\n",
+    "        #     arch_info = self.train_dataset[idx]\n",
+    "        #     arch_str = arch_info.arch_str\n",
+    "        #     train_arch_strs.append(arch_str)\n",
+    "        # for idx in self.test_index:\n",
+    "        #     arch_info = self.train_dataset[idx]\n",
+    "        #     arch_str = arch_info.arch_str\n",
+    "        #     test_arch_strs.append(arch_str)\n",
+    "\n",
+    "        train_smiles = []   \n",
+    "        test_smiles = []\n",
+    "\n",
+    "        for idx in self.train_index:\n",
+    "            graph = self.train_dataset[idx]\n",
+    "            print(graph.x, graph.edge_index)\n",
+    "            print(f'class of graph.x: {graph.x.__class__}, class of graph.edge_index: {graph.edge_index.__class__}')\n",
+    "            mol = self.create_molecule_from_graph(graph.x, graph.edge_index)\n",
+    "            train_smiles.append(Chem.MolToSmiles(mol))\n",
+    "        \n",
+    "        for idx in self.test_index:\n",
+    "            graph = self.train_dataset[idx]\n",
+    "            mol = self.create_molecule_from_graph(graph.x, graph.edge_index)\n",
+    "            test_smiles.append(Chem.MolToSmiles(mol))\n",
+    "        \n",
+    "        # train_smiles = [self.arch_str_to_smiles(arch_str) for arch_str in train_arch_strs]\n",
+    "        # test_smiles = [self.arch_str_to_smiles(arch_str) for arch_str in test_arch_strs]\n",
+    "        return train_smiles, test_smiles\n",
     "\n",
     "    def get_data_split(self):\n",
     "        raise NotImplementedError(\"This method is not applicable for NAS-Bench-201 data.\")\n",
@@ -46610,12 +674,14 @@
     "        return self.val_loader\n",
     "    \n",
     "    def test_dataloader(self):\n",
-    "        return self.test_loader\n"
+    "        return self.test_loader\n",
+    "\n",
+    "\n"
    ]
   },
   {
    "cell_type": "code",
-   "execution_count": 57,
+   "execution_count": 85,
    "metadata": {},
    "outputs": [],
    "source": [
@@ -46631,6 +697,7 @@
     "def task1(cfg: DictConfig):\n",
     "    datamodule = DataModule(cfg=cfg)\n",
     "    datamodule.prepare_data()\n",
+    "    return datamodule\n",
     "\n",
     "cfg = {\n",
     "    'general':{\n",
@@ -46688,7 +755,7 @@
   },
   {
    "cell_type": "code",
-   "execution_count": 58,
+   "execution_count": 86,
    "metadata": {},
    "outputs": [
     {
@@ -46701,31 +768,98 @@
       "target nasbench-201\n",
       "try to create the NAS-Bench-201 api from ./NAS-Bench-201-v1_1-096897.pth\n"
      ]
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/home/stud/hanzhang/anaconda3/envs/graphdit/lib/python3.9/site-packages/torch_geometric/data/in_memory_dataset.py:157: UserWarning: It is not recommended to directly access the internal storage format `data` of an 'InMemoryDataset'. If you are absolutely certain what you are doing, access the internal storage via `InMemoryDataset._data` instead to suppress this warning. Alternatively, you can access stacked individual attributes of every graph via `dataset.{attr_name}`.\n",
-      "  warnings.warn(msg)\n",
-      "/home/stud/hanzhang/anaconda3/envs/graphdit/lib/python3.9/site-packages/torch_geometric/deprecation.py:22: UserWarning: 'data.DataLoader' is deprecated, use 'loader.DataLoader' instead\n",
-      "  warnings.warn(out)\n"
-     ]
-    },
-    {
-     "name": "stdout",
-     "output_type": "stream",
-     "text": [
-      "nasbench-201  dataset len 15625 train len 9375 val len 3125 test len 3125 unlabeled len 0\n",
-      "train len 9375 val len 3125 test len 3125\n",
-      "train len 9375 val len 3125 test len 3125\n",
-      "dataset len 15625 train len 9375 val len 3125 test len 3125\n"
-     ]
     }
    ],
    "source": [
     "cfg = OmegaConf.create(cfg)\n",
-    "task1(cfg)"
+    "dm = task1(cfg)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 73,
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "\n",
+    "def create_molecule_from_graph(nodes, edges):\n",
+    "    mol = Chem.RWMol()  # RWMol allows for building the molecule step by step\n",
+    "    atom_indices = {}\n",
+    "    num_to_op = {\n",
+    "        1 :'nor_conv_1x1',\n",
+    "        2 :'nor_conv_3x3',\n",
+    "        3 :'avg_pool_3x3',\n",
+    "        4 :'skip_connect',\n",
+    "        5 :'output',\n",
+    "        6 :'none',\n",
+    "        7 :'input'\n",
+    "    } \n",
+    "\n",
+    "    # Extract node operations from the data object\n",
+    "\n",
+    "    # Add atoms to the molecule\n",
+    "    for i, op_tensor in enumerate(nodes):\n",
+    "        op = op_tensor.item()\n",
+    "        if op == 0: continue\n",
+    "        op = num_to_op[op]\n",
+    "        atom_symbol = op_to_atom[op]\n",
+    "        atom = Chem.Atom(atom_symbol)\n",
+    "        atom_idx = mol.AddAtom(atom)\n",
+    "        atom_indices[i] = atom_idx\n",
+    "    \n",
+    "    # Add bonds to the molecule\n",
+    "    edge_number = edges.shape[1]\n",
+    "    for i in range(edge_number):\n",
+    "        start = edges[0, i].item()\n",
+    "        end = edges[1, i].item()\n",
+    "        mol.AddBond(atom_indices[start], atom_indices[end], rdchem.BondType.SINGLE)\n",
+    "    \n",
+    "    return mol"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 77,
+   "metadata": {},
+   "outputs": [
+    {
+     "data": {
+      "image/png": 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",
+      "text/plain": [
+       "<rdkit.Chem.rdchem.RWMol at 0x7eff28309400>"
+      ]
+     },
+     "execution_count": 77,
+     "metadata": {},
+     "output_type": "execute_result"
+    }
+   ],
+   "source": [
+    "nodes = torch.tensor([7,4,1,6,6,6,1,5])\n",
+    "edges = torch.tensor([[0,0,1,0,1,2],[1,2,3,4,5,6]])\n",
+    "create_molecule_from_graph(nodes, edges)"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": 83,
+   "metadata": {},
+   "outputs": [
+    {
+     "ename": "TypeError",
+     "evalue": "create_molecule_from_graph() takes 2 positional arguments but 3 were given",
+     "output_type": "error",
+     "traceback": [
+      "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m",
+      "\u001b[0;31mTypeError\u001b[0m                                 Traceback (most recent call last)",
+      "Cell \u001b[0;32mIn[83], line 1\u001b[0m\n\u001b[0;32m----> 1\u001b[0m smiles \u001b[38;5;241m=\u001b[39m \u001b[43mdm\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mget_train_smiles\u001b[49m\u001b[43m(\u001b[49m\u001b[43m)\u001b[49m\n",
+      "Cell \u001b[0;32mIn[75], line 167\u001b[0m, in \u001b[0;36mDataModule.get_train_smiles\u001b[0;34m(self)\u001b[0m\n\u001b[1;32m    165\u001b[0m     graph \u001b[38;5;241m=\u001b[39m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mtrain_dataset[idx]\n\u001b[1;32m    166\u001b[0m     \u001b[38;5;66;03m# print(graph.x, graph.edge_index)\u001b[39;00m\n\u001b[0;32m--> 167\u001b[0m     mol \u001b[38;5;241m=\u001b[39m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mcreate_molecule_from_graph\u001b[49m\u001b[43m(\u001b[49m\u001b[43mgraph\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mx\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43mgraph\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43medge_index\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m    168\u001b[0m     train_smiles\u001b[38;5;241m.\u001b[39mappend(Chem\u001b[38;5;241m.\u001b[39mMolToSmiles(mol))\n\u001b[1;32m    170\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m idx \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28mself\u001b[39m\u001b[38;5;241m.\u001b[39mtest_index:\n",
+      "\u001b[0;31mTypeError\u001b[0m: create_molecule_from_graph() takes 2 positional arguments but 3 were given"
+     ]
+    }
+   ],
+   "source": [
+    "smiles = dm.get_train_smiles()"
    ]
   }
  ],