LigandPro
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11 repositories
hedgehog
PublicStage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.ABCFold
PublicMarkushGrapher
PublicMatcha
PublicMulti-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.boltz
Publicshepherd
PublicBento
PublicUV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.posecheck-fast
PublicHigh-throughput docking pose validation: symmetry-corrected RMSD and lightweight PoseBusters-style distance/clash filters.QSAR_KRAS_inhibitors
Public archiveMULAN
Public
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