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  1. ml_tps_si ml_tps_si Public

    Collection of tools/codes/data used in the article D4DD00265B

    Jupyter Notebook 1

  2. nikitafedik.xyz nikitafedik.xyz Public

    SCSS

  3. lanl/PYSEQM lanl/PYSEQM Public

    an interface to semi-empirical quantum chemistry methods implemented with pytorch

    Python 55 19

  4. mlcm-25/mlcm-25.github.io mlcm-25/mlcm-25.github.io Public

    SCSS 2