zinc-database

Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.

drug-discoveryvirtual-screeningsimilarity-searchmolecular-docking

ovachiever

81

diffdock

Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.

molecular-dockingdiffusion-modelsprotein-ligand-bindingstructure-based-drug-design

ovachiever

81

zinc-database

Access ZINC (230M+ purchasable compounds). Search by ZINC ID/SMILES, similarity searches, 3D-ready structures for docking, analog discovery, for virtual screening and drug discovery.

cheminformaticsdrug-discoverydatabase-integrationvirtual-screening

K-Dense-AI

3,233360