nghiencuuthuoc

Error module 'rdkit.Chem' has no attribute 'MolFromSimles'

4

With rdkit 2021.03.4 Error in file environ.py, 385 data = df.drop(test.index) 386 --> 387 test_x = utils.Predictor.calc_fp([Chem.MolFromSimles(mol) for mol in test.index]) 388 data_x = utils.Predictor.calc_fp([Chem.MolFromSimles(mol) for mol in data.index]) 389...

_pickle.UnpicklingError: invalid load key, 'v'.

3

python generate_molecules.py Traceback (most recent call last): File "/home/pharmapp/DD-2022/LIMO/generate_molecules.py", line 15, in vae.load_state_dict(torch.load('vae.pt')) File "/home/pharmapp/anaconda3/envs/env0/lib/python3.10/site-packages/torch/serialization.py", line 713, in load return _legacy_load(opened_file, map_location, pickle_module, **pickle_load_args) File "/home/pharmapp/anaconda3/envs/env0/lib/python3.10/site-packages/torch/serialization.py", line 920, in _legacy_load...