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  1. CatKit CatKit Public

    Forked from SUNCAT-Center/CatKit

    General purpose tools for high-throughput catalysis

    Python 1

  2. gocia gocia Public

    Forked from zishengz/gocia

    Global Optimizer for Clusters, Interfaces, and Adsorbates

    Python

  3. NeuralForceField NeuralForceField Public

    Forked from learningmatter-mit/NeuralForceField

    Neural Network Force Field based on PyTorch

    Jupyter Notebook

  4. learningmatter-mit/SingleAtom-LocalEnv learningmatter-mit/SingleAtom-LocalEnv Public

    Active learning accelerated exploration of the single atom local environments in multimetallic systems for oxygen electrocatalysis

    Python 3