autodock

A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.

(Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina

High-throughput molecular docking with multiple targets and ligands using Vina series engines

A simple turtlebot 3 Aruco Autodocking Algorithm

Structify is a lightweight and efficient tool for converting chemical structure file formats. Structify simplifies the process of converting between formats commonly used in computational chemistry and molecular docking workflows.

Compilations of hands-on project Biomolecular simulations

A script to run docking experiments in AutoDock Vina for several ligands at once with technical replicates.

Scipion framework plugin for the use of tools provided by Autodock software suite

Open-source GPU-accelerated virtual drug screening platform. Discover potential treatments for cancer, Alzheimer's, and other diseases using your own hardware. No cloud costs, no subscriptions - just science.

Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera

Test task for the position of a specialist in structural bioinformatics in the BIOCAD Corporation

ADPy: A Python Package for High-Throughput Molecular Docking using AutoDock Vina

LADOCK — molecular docking workstation in one package, two front-ends: ladock-cli (rule-based agent) and ladock-desktop (PySide6 GUI)

🔍 Accelerate drug discovery with open-source, GPU-driven virtual screening to make treatments more accessible and effective for everyone.