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  • Basel, Switzerland

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Achievement: YOLOAchievement: Pull Sharkx3Achievement: StarstruckAchievement: Arctic Code Vault Contributor
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Achievements

Achievement: YOLOAchievement: Pull Sharkx3Achievement: StarstruckAchievement: Arctic Code Vault Contributor
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@shirtsgroup
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Pinned

  1. shirtsgroup/physical_validation shirtsgroup/physical_validation Public

    Physical validation of molecular simulations

    Python 55 18

  2. gromacs/gromacs gromacs/gromacs Public

    Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

    C++ 657 313

  3. MobleyLab/waterNES MobleyLab/waterNES Public

    Workflows to calculate relative free energies using non-equilibrium switching for buried water molecules

    Python 1

  4. gmxbenchmark gmxbenchmark Public

    GROMACS benchmarking tool

    Python 2 3

  5. jupyter-minimal-mistakes jupyter-minimal-mistakes Public

    Action which turns Jupyter notebooks into Markdown posts to be used with the Minimal Mistakes Jekyll theme

    Jupyter Notebook 5