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  1. hcatgnet hcatgnet Public

    Contains all the code to replicate the experiments and results described in the paper: "HHCat-GNet: a Human-Interpretable GNN Tool for Ligand Optimization in Asymmetric Catalysis"

    Python 2

  2. AsymBench AsymBench Public

    Python

  3. Biomaterials-for-Medical-Devices-AI/PolyNet Biomaterials-for-Medical-Devices-AI/PolyNet Public

    Repository for GNNs for Polymers

    Python 1 1