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  • University of Notre Dame

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  1. Q2MM/q2mm Q2MM/q2mm Public

    Forked from ericchansen/q2mm

    Quantum to Molecular Mechanics (Q2MM)

    Python 24 9

  2. hybrid_optimizer hybrid_optimizer Public

    Jupyter Notebook

  3. graeter-group/SITH graeter-group/SITH Public

    Stress Induced Traversal of Hessian analysis, a refactorization of JEDI to analyze distribution of energy in molecules under a stress force.

    HTML 2