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  1. EDAPINENUT/CBGBench EDAPINENUT/CBGBench Public

    Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >

    Python 325 39

  2. ResGen ResGen Public

    3D_Molecular_Generation

    Python 109 15

  3. SurfGen SurfGen Public

    SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation

    Python 76 13

  4. AI-Physics-DrugDiscovery AI-Physics-DrugDiscovery Public

    my own studied materials and scripts

    Jupyter Notebook 61 11

  5. Delete Delete Public

    A universal structure-directed lead optimization

    Python 74 6

  6. ODesign ODesign Public

    Forked from OTeam-AI4S/ODesign

    Official repository of "ODesign: A World Model for Biomolecular Interaction Design"

    Python 1