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Pinned

  1. ParaTemp ParaTemp Public

    A package for molecular dynamics analysis and parallel tempering in GROMACS

    Python 11 4

  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