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maccallumlab

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  1. martini_openmm martini_openmm Public

    Python 61 16

  2. meld meld Public

    Modeling with limited data

    Python 60 35

  3. BoltzmannGenerator BoltzmannGenerator Public

    An implementation of Boltzmann generators using pytorch.

    Python 11 6

  4. meld-openmm-plugin meld-openmm-plugin Public

    Meld plugin for OpenMM

    C++ 3 6

  5. conda-recipes conda-recipes Public

    Forked from omnia-md/conda-recipes

    conda build recipes for the Omnia project

    C 2

  6. adaptremd adaptremd Public

    Adaptive REMD using SGD

    Jupyter Notebook 1

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