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Achievements

Achievement: Galaxy BrainAchievement: Pair Extraordinairex3Achievement: YOLOAchievement: QuickdrawAchievement: Starstruckx3Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3
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@Becksteinlab @MDAnalysis @ASU-CompMethodsPhysics-PHY494 @alchemistry
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Pinned

  1. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.2k 639

  2. Becksteinlab/GromacsWrapper Becksteinlab/GromacsWrapper Public

    GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2023 supported).

    Python 165 51

  3. alchemistry/alchemlyb alchemistry/alchemlyb Public

    the simple alchemistry library

    Python 175 47

  4. MDAnalysis/pmda MDAnalysis/pmda Public

    Parallel algorithms for MDAnalysis

    Python 30 21

  5. Becksteinlab/MDPOW Becksteinlab/MDPOW Public

    Calculation of water/solvent partition coefficients with Gromacs.

    Python 23 10

  6. MDAnalysis/GridDataFormats MDAnalysis/GridDataFormats Public

    GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.

    Python 29 18