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  1. ATOM ATOM Public

    AI-driven Tools for Optimizing Materials

    JavaScript

  2. makemoreMols makemoreMols Public

    Generative AI for molecules

    Jupyter Notebook

  3. MolecularMaterials/COBOL MolecularMaterials/COBOL Public

    Chemistry Oriented Bayesian Optimization Library

    Jupyter Notebook 7 5

  4. MolecularMaterials/MPNN-Mo2C MolecularMaterials/MPNN-Mo2C Public

    GNN for catalyst descriptor prediction

    Jupyter Notebook 1

  5. MolecularMaterials/BOtutorial MolecularMaterials/BOtutorial Public

    Bayesian optimization tutorial using a published work in energy storage research

    Jupyter Notebook