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Canonicalization error in the Example py files #13

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thomasATbayer opened this issue Oct 14, 2022 · 0 comments

thomasATbayer commented Oct 14, 2022 •

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There is a bug in the Example files:

Instead of

mols, successful_inds = smiles_to_mols(smiles)
smiles = [Chem.MolToSmiles(m) for m in mols]

it should read

mols, successful_inds = smiles_to_mols(smiles)
smiles = [Chem.MolToSmiles(m) for m in mols]
mols, _ = smiles_to_mols(smiles)

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