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  • AutoSolvate Public

    Forked from Liu-group/AutoSolvate

    Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules

    Python BSD 3-Clause "New" or "Revised" License Updated May 9, 2024

  • NBO-Parser Public

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

    Python 2 1 Updated Jul 4, 2022

  • Chemistry-Murder-Mystery Public

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

    tp 15-112
    Python Updated Jul 4, 2022