Vina MPI is a MPI ready version of the docking software Autodock Vina.
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Updated
May 7, 2023 - C++
Vina MPI is a MPI ready version of the docking software Autodock Vina.
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.
AutoDock Vina is one of the fastest and most widely used open-source docking engines. It is based on a simple scoring function and rapid gradient-optimization conformational search. It was originally designed and implemented by Dr. Oleg Trott in the Molecular Graphics Lab. This fork of Vina adds changes that allow it to be a part of DockingFactory.
Finding redundancies and similarities in SMILES datasets
mirror of https://gitlab.com/CaflischLab/SEED
Quick Vina 2 is a fast and accurate molecular docking tool, attained at accurately accelerating AutoDock Vina. This fork of QVina 2 adds changes that allow it to run as part of DockingFactory.
ImGui application showing the implementation of Docking
mirror of vina.scripps.edu/download v1.1.2
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. This fork adds changes to rDock that allow it to be a part of DockingFactory.
A fork of Autodock Vina for DeltaVina scoring function
An extended variant of idock which was originally developed by @HongjianLi.
TeamSpeak 3 Client Dock Widgets Plugin
Simple small molecular docking and conformation filtering tool.
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
Terminal with docking as Visual Code and integrating with helpfull features...
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