ChemistryAtlas Code
rdk/p2rank
Docking and protein-ligand modelingGitHubsource codebinding-sitesbioinformaticschimeraxdockingdrug-discoverygroovyjavaligandmachine-learning
P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.
Why it is useful: Docking and protein-ligand modeling repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 433 stars, 57 forks, primary language: Groovy.
Citation: GitHub repository: rdk/p2rank