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How does it compare with classic docking
Posted: Mon Jun 16, 2025 9:25 am
by Trisheye
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: How does it compare with classic docking
Posted: Tue Jul 01, 2025 5:49 am
by zbiao
EDock’s average running time：2.02 h
AutoDock Vina average running time：0.33 min.
Re: How does it compare with classic docking
Posted: Tue Jul 01, 2025 5:52 am
by zbiao
tested on two large-scale datasets from DUDE and COACH
EDock’s average running time：2.02 h
AutoDock Vina average running time：0.33 min.
For details, you can refer to the article
https://zhanggroup.org/papers/2020_19.pdf