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  1. entropy-screened-BO entropy-screened-BO Public

    This is a repository with open source code and the data for "Artificial Intelligence-Driven Discovery of High-Entropy Alloys for Optimal Water Splitting Using Configuration Entropy and Design of Ex…

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  2. BondExplainer BondExplainer Public

    This is a repository for BondExplainer.

  3. Molecules_partialcharge Molecules_partialcharge Public

    A codebase for calculating partial charges of molecules

    Jupyter Notebook

  4. HE_LDH HE_LDH Public

    Repository for the paper "Revealing Local Coordination–Modulated Oxygen Evolution Reactivity in High-Entropy Layered Double Hydroxides"

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