Update app.py

app.py

@@ -6,10 +6,8 @@ import os
 import pandas as pd
 import hashlib
 from torch_geometric.loader import DataLoader
-
 import torch
 import torch.nn.functional as F
-import torchmetrics
 from torch.optim.lr_scheduler import CosineAnnealingWarmRestarts
 from torch_geometric.nn import GCNConv, global_mean_pool, GATConv, GAE, GATv2Conv, GraphSAGE, GENConv, GMMConv, \
     GravNetConv, MessagePassing, global_max_pool, global_add_pool, GAT, GINConv, GINEConv, GraphNorm, SAGEConv, RGATConv
@@ -19,9 +17,7 @@ import numpy as np
 import torch.nn.functional as F
 from torch_geometric.nn import global_mean_pool, global_max_pool, global_add_pool, MessagePassing
 from torch_geometric.utils import add_self_loops
-from tqdm import tqdm
-from torch.nn import Conv1d
-from typing import Optional, Callable, Union, List, Tuple
+
 from torch_geometric.data import Data, in_memory_dataset, Dataset, InMemoryDataset
 from torch_geometric.loader import DataLoader
 import numpy as np
@@ -32,11 +28,9 @@ from torch_geometric.utils import to_networkx, to_dense_adj
 import networkx as nx
 import pandas as pd
 from rdkit import Chem
-from rdkit.Chem.rdchem import HybridizationType
 from rdkit.Chem.rdchem import BondType as BT
 from rdkit.Chem import AllChem
 from sklearn.preprocessing import OneHotEncoder
-import warnings
 
 
 CHIRALITY_LIST = [