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--> 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 out = 'output/single/%s_%s_%s' % (alg, 'REG' if reg else 'CLS', feat)
AttributeError: module 'rdkit.Chem' has no attribute 'MolFromSimles'
Change code "Chem.MolFromSimles" to "AllChem.MolFromSmiles"
The text was updated successfully, but these errors were encountered:
I am afraid that you have to downgrade the version of RDKit. Because in the previous version, I always use Chem but not Allchem module to invoke MolFromSmiles().
I am afraid that you have to downgrade the version of RDKit. Because in the previous version, I always use Chem but not Allchem module to invoke MolFromSmiles().
but it appears the same error, my rdkit version is 2020.03.
With rdkit 2021.03.4
Error in file environ.py,
--> 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 out = 'output/single/%s_%s_%s' % (alg, 'REG' if reg else 'CLS', feat)
AttributeError: module 'rdkit.Chem' has no attribute 'MolFromSimles'
Change code "Chem.MolFromSimles" to "AllChem.MolFromSmiles"
The text was updated successfully, but these errors were encountered: