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Popular repositories

  1. Systematic force field optimization.

    Python 83 49

  2. Geometry optimization code that includes the TRIC coordinate system

    Python 46 26

  3. Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations

    OpenEdge ABL 9 4

  4. Forked from openbabel/openbabel

    Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

    C++ 1

  5. Forked from MobleyLab/FreeSolv

    Experimental and calculated small molecule hydration free energies

    1

  6. Nanoreactor analysis codes (not yet released)

    Python 1 2

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October 2020

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