pschwllr/MolecularTransformer

Typo in README

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linminhtoo commented

Hello Philippe,

Just spotted a typo in the README under the data augmentation section:

random_equivalent_smiles = Chem.MolFromSmiles(Chem.MolToSmiles(smi, doRandom=True))

I believe it should be

random_equivalent_smiles = Chem.MolToSmiles(Chem.MolFromSmiles(smi), doRandom=True)

I can create a PR if needed.

Cheers.

pschwllr commented

Thanks for pointing it out! I've quickly fixed it. Cheers, Philippe