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@Intelligent-Drug-Discovery-Lab

Intelligent Drug Discovery Lab

IDD Lab@TJU leverages generative AI enable scalable drug design,across diverse therapeutic modalities.

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  1. SurfDock SurfDock Public

    SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction

    Python 251 32

  2. EquiScore EquiScore Public

    Python 84 9

  3. MolGenBench MolGenBench Public

    Codebase for Paper: Benchmarking Real-World Applicability of Molecular Generative Models from De novo Design to Lead Optimization with MolGenBench

    Jupyter Notebook 32

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