You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Thank you very much for your great work on this project.
I have a quick question regarding the preprocessing pipeline.
When converting .pdb files into .pdbqt, are hydrogens (especially polar hydrogens) automatically added during this step?
From reading the code, it doesn’t seem that this is handled explicitly. Is hydrogen addition not required in your pipeline, or should users add hydrogens manually before running docking?