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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 309 37

  2. ResGen ResGen Public

    3D_Molecular_Generation

    Python 100 12

  3. SurfGen SurfGen Public

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

    Python 70 12

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

    my own studied materials and scripts

    Jupyter Notebook 54 11

  5. ECloudGen_old ECloudGen_old Public

    ECloudGen: Leverage Quantum Physics to Scale Chemical Space for Structure-based Molecular Design

    Python 13 1

  6. Delete Delete Public

    A universal structure-directed lead optimization

    Python 56 5