Jae Hong Shin

Hi, I got the same errors. I tried to add an error handling but it did not work. To make high-throughput docking with python binding, it would be nice to...

I have done two individual dockings with the same seed but different value(1, 20) of the "no_of_poses" parameter. The first pose 's scores from two dockings were compared: one score...

Sorry for the delay. I cannot share the structure because I am working on a project. The script is very similar to the tutorial example. I compared the first pose...

I also did another test with the 1iep_ligand.sdf file by converting pdbqt using meeko. (I also used a similar script to above) I ran 10 times with the randomization of...