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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 315 37

2. ResGen ResGen Public

   3D_Molecular_Generation

   Python 103 14

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 58 11

5. Delete Delete Public

   A universal structure-directed lead optimization

   Python 65 5

6. ODesign ODesign Public

   Forked from The-Institute-for-AI-Molecular-Design/ODesign

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

   Python 1