MoleculeX/Molecule3D/preprocess/mols2sdf.py 代码中没有看到 path = '/mnt/dive/shared/kaleb/Datasets/PubChemQC/utils/list_of_valid_mol_dirs2.pkl'

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Open bugatti742 opened 2 years ago

bugatti742 commented 2 years ago

MoleculeX/Molecule3D/preprocess/mols2sdf.py 代码中没有看到 path = '/mnt/dive/shared/kaleb/Datasets/PubChemQC/utils/list_of_valid_mol_dirs2.pkl'

list_of_valid_mol_dirs2.pkl 这个文件没有看到在哪里出现的