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  1. LopezGroup-ICIQ/ATLAS LopezGroup-ICIQ/ATLAS Public

    An automatic workflow for streamlining training and data generation for MLIPs via active learning

    Python 6 1

  2. AL-workflow AL-workflow Public

    Python

  3. modified_CGCNN modified_CGCNN Public

    The modified CGCNN code for predicting the properties regarding adsorption process.

    Python