Uploaded SMILES characters

Waztom / xchem-CAR

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Closed Waztom closed 3 years ago

Waztom commented 3 years ago

SMILES string no longer being converted into a rdkit mol object

[ ] Suspect type of characters being used with tailing white space characters - originally passed SMILES as list (mol objects were created) from validate to upload Celery function and now passing dictionary of SMILES (mols are now None)

Waztom commented 3 years ago

Fixed with setting 'list' in df.to_dict('list')