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Achievement: Galaxy BrainAchievement: Pair Extraordinairex4Achievement: QuickdrawAchievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

Achievements

Achievement: Galaxy BrainAchievement: Pair Extraordinairex4Achievement: QuickdrawAchievement: YOLOAchievement: StarstruckAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor

Organizations

@MDAnalysis @OpenFreeEnergy

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  1. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.3k 653

  2. OpenFreeEnergy/openfe OpenFreeEnergy/openfe Public

    The Open Free Energy toolkit

    Python 143 20

  3. MDRestraintsGenerator MDRestraintsGenerator Public

    Python code for generating Boresch restraints from MD simulations

    Python 18 6

  4. fragment-opt-abfe-benchmark fragment-opt-abfe-benchmark Public

    Benchmark set for absolute binding free energy calculations of fragment optimisations

    Python 2 2

  5. OxCompBio OxCompBio Public

    Forked from bigginlab/OxCompBio

    Materials for the oxford computational biochemistry course including python

    Jupyter Notebook 1 1

  6. Becksteinlab/propkatraj Becksteinlab/propkatraj Public

    pKa estimates for proteins using an ensemble approach

    Python 27 7