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1. mdstates mdstates Public

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

   Python 2 1

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