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Edock computational time

Posted: Fri Nov 18, 2022 12:15 pm
by rodriguezg
Hi, I recently tested Edock and it came up with a nice resulting docking pose. I'm working on a project in which I need to run many (several thousands) of dockings and, before getting into the standalone code, I would like to know roughly its efficiency in terms of cpu time. Do you have any rough estimate about the time per docking? how does it compare with classic docking, eg Vina? Thanks!

Re: Edock computational time

Posted: Sat Nov 19, 2022 1:01 pm
by jlspzw
Dear user,

Based on our experience, edock will take hours to days, depending on the system.

IT Team