Hritik Goyal
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Hritik Goyal
I was trying to fingerprint SMILES from a dataset but unable to get the descriptors using padelpy.from_smile for some SMILES in the dataset. For example these SMILES: 'C=C', '[H]CCCP(CCCNC(=O)C(=O)N[H])c1ccccc1', '[H]CCCP(CCCCCCCC)CCCNC(=O)C(=O)N[H]',...