So excited for next week folks!
Now to a real issue.
I must be really missing something basic...
I understand the below returns false because of the different Mol
instances, but is there an "easyish" way (without comparing inchis,
fingerprints, converting to canonical Smiles etc) how to override the == to
return True?
>>> import rdkit
>>> from rdkit import Chem
>>> m1 = Chem.MolFromSmiles('CC')
>>> m2 = Chem.MolFromSmiles('CC')
>>> m1 == m2
False
Many Thanks and See you soon !
-
Jean-Paul Ebejer
Early Stage Researcher
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