Re: [Rdkit-discuss] Try to reproduce a code working in January

Hi Guillaume, I confirmed the issue. RemoveHs does not work to invalid molecule. So I updated my code example and uploaded gist. Could you please check new version of my code? https://gist.github.com/iwatobipen/77269b8a10eafe0e0cba8de5c1cae6ec Any comments or suggestions will be appreciated.

[Rdkit-discuss] Try to reproduce a code working in January

Dear community, I try to reproduce this code https://iwatobipen.wordpress.com/2019/01/18/generate-possible-molecules-from-a-dataset-chemoinformatics-rdkit/ but got an error un panda / rdkit during generation: frame = frame[["ROMol", "Smiles", "Core", "R1", "R2", "R3"]]