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  1. FireWorks-Atomate-Tutorial FireWorks-Atomate-Tutorial Public

    FireWorks and Atomate Tutorial

    Jupyter Notebook 8 2

  2. ulissigroup/wherewulff ulissigroup/wherewulff Public

    WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions

    Python 27 5

  3. pythonic-chemistry pythonic-chemistry Public

    The Beginner's Guide to Digital Chemistry

    Jupyter Notebook 5