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  1. NBO-Parser NBO-Parser Public

    Development of smart output parsers for quantum chemistry calculations involving transition metal complexes using python.

    Python 2 1

  2. Chemistry-Murder-Mystery Chemistry-Murder-Mystery Public

    This is a game project that focus on reinforcing students' chemistry knowledge while having fun by solving murder mystery.

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  3. AutoSolvate AutoSolvate Public

    Forked from Liu-group/AutoSolvate

    Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules

    Python