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1. ParaTemp ParaTemp Public

   A package for molecular dynamics analysis and parallel tempering in GROMACS

   Python 11 6

2. QM-calc-scripts QM-calc-scripts Public

   A set of scripts that are useful for creating, submitting, and processing QM calculations

   Python 1

3. metadmodel metadmodel Public

   Package for simulating simple models of metadynamics and replica exchange simulations.

   Jupyter Notebook 2 1

4. lattice-reaction-model lattice-reaction-model Public

   Lattice-based Monte Carlo simulation of reaction of HTMF with cinnamate catalyzed by TADDOL

   Mathematica

5. thtools thtools Public

   Tools and such I use regularly for productivity

   Python

6. ALEKS_analysis ALEKS_analysis Public

   An analysis of ALEKS data and course outcomes

   Mathematica