Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

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

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

package for docking ros2 robots. (based off fetch open auto dock)

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

Parallelized Open Babel & Autodock suite Pipeline

Dock Multiple Ligands with AutoDock Vina with one Command

Package AutoDock Vina, ADFR suite, Meeko, MGLTools into Docker Image.

Examines ligand interactions with predicted protein structures

Accurately speed up AutoDock Vina and multiple ligands at a time.

Compilations of hands-on project Biomolecular simulations

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

A simple turtlebot 3 Aruco Autodocking Algorithm

A simple batch submission script to submit jobs to AutoDock Vina on Linux and MacOS developed by Bhavesh Ashok.

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.

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

AutoDock molecular docking for the NEC SX-Aurora TSUBASA

Molecular docking is one of the molecular modeling methods that predicts the preferred orientation of one molecule (ligand) to another (receptor) when bound to each other to form a stable complex (lowest energy state).

This repository provides a demonstration of basic molecular docking using software tools such as AutoDock and ChimeraX. These techniques form part of the curriculum of the Bioinformatics practical course offered by Ahmedabad University, under the course code BIO205.

Easily relaunch failed AutoDock Vina OPAL jobs from UCSF Chimera