ChemistryAtlas Code

chemosim-lab/ProLIF

Docking and protein-ligand modelingGitHubsource codecheminformaticsdockingdrug-designdrug-discoverymdanalysismolecular-dynamicsrdkit

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Interaction Fingerprints for protein-ligand complexes and more

Why it is useful: Docking and protein-ligand modeling repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 504 stars, 98 forks, primary language: Python.
Homepage: https://prolif.readthedocs.io

Citation: GitHub repository: chemosim-lab/ProLIF

TypeCode

DomainDocking and protein-ligand modeling

LicenseApache-2.0

Contributorschemosim-lab