add smiles canonicalisation, update tokens.txt #118
Merged
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This solves #117
_read_datamethod of theChemDataReader(which is used by all SMILES related datasets), read molecule with rdkit and output new, canonical SMILESreader_kwargs["canonicalize_smiles"]in the dataset to False.--to-2)note for #113: SMILES augmentation only works if canonicalisation is set to False