出現的錯誤信息：

AttributeError: Caught AttributeError in DataLoader worker process 0.
Original Traceback (most recent call last):
? File "/home/mapengsen/anaconda3/envs//lib/python3.8/site-packages/torch/utils/data/_utils/worker.py", line 308, in _worker_loop
? ? data = fetcher.fetch(index)
? File "/home/mapengsen/anaconda3/envs//lib/python3.8/site-packages/torch/utils/data/_utils/fetch.py", line 54, in fetch
? ? return self.collate_fn(data)
? File "/mnt/d/Pycharm_workspace//duibi/rcg/pretrained_enc/grover/data/molgraph.py", line 411, in __call__
? ? batch_mol_graph = mol2graph(smiles_batch, self.shared_dict, self.args)
? File "/mnt/d/Pycharm_workspace//duibi/rcg/pretrained_enc/grover/data/molgraph.py", line 353, in mol2graph
? ? mol_graph = MolGraph(smiles, args)
? File "/mnt/d/Pycharm_workspace//duibi/rcg/pretrained_enc/grover/data/molgraph.py", line 121, in __init__
? ? self.hydrogen_donor_match = sum(mol.GetSubstructMatches(self.hydrogen_donor), ())
AttributeError: 'NoneType' object has no attribute 'GetSubstructMatches'

在epoch運行過程中，突然出現了這種錯誤，感覺可能是rdkit版本的問題，此時將rdkit的版本改為了最新的版本

pip install rdkit==2024.3.3

暫時沒有錯誤，等等看看再說?