/tools/p2rank
p2rank
rdk/p2rank
386 stars52 forksGroovyAdded February 4, 2026
summary
P2Rank is a command-line tool that predicts ligand-binding sites from protein structures using machine learning techniques. It provides high accuracy in identifying potential binding pockets without relying on external databases, making it useful for drug discovery and virtual screening applications.
description
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
topics
bioinformaticsmachine-learningprotein-structurepdbbinding-sitesproteinsstructural-bioinformaticsjavammcifpymolgroovyprotein-ligand-dockingmolecular-structuresdrug-discoveryvirtual-screeningp2rankchimeraxprotein-ligand-interactionsdockingligand
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