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Pfaendtner Research Group

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  1. GROMACS GROMACS Public

    Tools, tutorials, and wiki for GROMACS

    Python 20 11

  2. plumitas plumitas Public

    A Python package to improve the accessibility and reproducibility of enhanced sampling simulations

    Python 15 8

  3. Plumed Plumed Public

    Scripts, tools for using PLUMED for enhanced sampling techniques in molecular simulation

    5 1

  4. UW-Molecular-Data-Mining UW-Molecular-Data-Mining Public

    Repository for chemical data extraction from literature corpora

    HTML 5 8

  5. pbut_tica-msm pbut_tica-msm Public

    tICA used to build MSMs for the study of protein bound uremic toxins

    Roff 4

  6. cookiecutter-molecular-dynamics cookiecutter-molecular-dynamics Public

    cookiecutter template for molecular dynamics projects with GROMACS and Plumed

    Python 3 2

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