1.LigandPro / MatchaMulti-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.alphafold3dockingdrug-designdrug-discoveryflowmatchinggnina+8 morePythonOther license37 total4 forks+14 starsfrom 23 · score 2.71