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18 followers · 9 following
  • Oak Ridge National Laboratory

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  1. mdstates mdstates Public

    Python package that automatically detects and analyzes reactions in molecular dynamics trajectories.

    Python 2

  2. UWPRG/transition-sampling UWPRG/transition-sampling Public

    Python 2

  3. quantum2classical/blues quantum2classical/blues Public

    Python package for molecular bond order estimation via natural population analysis.

    Python 2 3

  4. esteem esteem Public

    Electronic Structure Tool for Energy Estimation of Molecules

    MATLAB 1