P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.

The central entry point to the P2Rank project with links to the individual projects, including references to documentation, datasets, etc.

This repository provides an automated docking solution for ligands and receptor proteins using AutoDock Vina and P2Rank, enhanced with a Streamlit-based web interface for simple and intuitive browser-based operation. It supports high-throughput workflows and includes SLURM integration for advanced task management while remaining easy to use locally

Simple pipeline to execute molecular docking experiments

Repository which incorporates the p2rank software in scipion