Pinned Loading

1. EDAPINENUT/CBGBench EDAPINENUT/CBGBench Public

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

   Python 228 32

2. ResGen ResGen Public

   3D_Molecular_Generation

   Python 75 12

3. SurfGen SurfGen Public

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

   Python 57 12

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

   my own studied materials and scripts

   Jupyter Notebook 42 10

5. Delete Delete Public

   Delete: Directly optimizing lead in protein pockets, including linker design, fragment elaboration, scaffold hopping and side-chain decoration

   Python 22 2

6. ECloudGen_demo ECloudGen_demo Public

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

   Python 2