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Input format of ligand

Open MiaJY-Yang opened this issue 4 months ago • 1 comments

Besides the SMILES format, are there other input formats that can be used for ligand input to predict interactions with proteins? The SMILES format is difficult to convert and prone to errors.

MiaJY-Yang avatar Sep 02 '25 09:09 MiaJY-Yang

Any comments on this? i have the same issue... I'm trying with big glycans and it's a bit messy using different conformers of one molecule...

jufercar avatar Oct 28 '25 11:10 jufercar