LigandPro

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1. Matcha Matcha Public

   Multi-stage Riemannian flow matching for physically valid molecular docking, with GNINA scoring, PoseBusters filtering, CLI inference, and benchmarks.

   Python 34 4

2. hedgehog hedgehog Public

   Stage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.

   Python 13 2

3. Bento Bento Public

   UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.

   Jupyter Notebook 13

4. posecheck-fast posecheck-fast Public

   High-throughput docking pose validation: symmetry-corrected RMSD and lightweight PoseBusters-style distance/clash filters.

   Python 6 1