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quantori/scip-smina

Smina is fork of AutoDock Vina that is customized to better support scoring function development and high-performance energy minimization. smina is maintained by David Koes at the University of Pittsburgh and is not directly affiliated with the AutoDock project. This fork of Smina adds changes that allow it to run as a part of DockingFactory.

语言:C++ · GitHub 星标:9 · Fork:2

话题:docking · drug-discovery · molecular-docking · virtual-screening

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