Uni-Dock: a GPU-accelerated molecular docking program

rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.

Simple small molecular docking and conformation filtering tool.

Advanced Docking System for Qt

Advanced Docking System for Qt

ImGui application showing the implementation of Docking

Advanced Docking System for Qt

mirror of https://gitlab.com/CaflischLab/SEED

TeamSpeak 3 Client Dock Widgets Plugin

Vina MPI is a MPI ready version of the docking software Autodock Vina.

Terminal with docking as Visual Code and integrating with helpfull features...

Finding redundancies and similarities in SMILES datasets

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.

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.

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.

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.

RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]

Dear ImGui Addons Branch = plain unmodified dear imgui plus some extra addon.

An extended variant of idock which was originally developed by @HongjianLi.