rdk/p2rank

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.

GroovyJavaShellTclPromelaPythonjavagroovymachine-learningbioinformaticsrandom-forestproteinspdbmolecular-structuresprotein-structureprotein-ligand-dockingpredictionpymoldrug-discoverymmcifprotein-ligand-interactionsbinding-sitesligandprotein-surfacevirtual-screeningstructural-bioinformatics
This is stars and forks stats for /rdk/p2rank repository. As of 28 Mar, 2024 this repository has 171 stars and 28 forks.

Ligand-binding site prediction based on machine learning. Description P2Rank is a stand-alone command line program that predicts ligand-binding pockets from a protein structure. It achieves high prediction success rates without relying on an external software for computation of complex features or on a database of known protein-ligand templates. Version 2.4 adds support for .cif input and contains a special profile for predictions on AlphaFold models and NMR/cryo-EM structures. Requirements Java...
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