/tools/vina_docking

vina_docking

jacquesboitreaud/vina_docking

GitHub
toolsmall-moleculedrug-discoverydocking
23 stars4 forksPythonAdded February 8, 2026
summary

The 'vina_docking' repository contains Python scripts for performing molecular docking using AutoDock Vina. It allows users to preprocess receptor and ligand files, run docking simulations, and output results, making it a valuable tool for drug discovery and molecular interactions.

description

Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina

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