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@theacodes

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Achievement: QuickdrawAchievement: YOLOAchievement: Pair ExtraordinaireAchievement: Public SponsorAchievement: Starstruckx2Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx4

Achievements

Achievement: QuickdrawAchievement: YOLOAchievement: Pair ExtraordinaireAchievement: Public SponsorAchievement: Starstruckx2Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx4

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@FoldingAtHome @choderalab @cBio @omnia-md @openforcefield @openmm

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  1. choderalab/software-development Public

    A primer on software development best practices for computational chemistry

    263 79

  2. openmm/openmm Public

    OpenMM is a toolkit for molecular simulation using high performance GPU code.

    C++ 1.6k 544

  3. choderalab/openmmtools Public

    A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

    Python 265 85

  4. choderalab/yank Public

    An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

    Python 184 71

  5. latex-cv Public

    Example showing how LaTeX can be used to produce a nice-looking curriculum vitae (CV).

    TeX 16 3

  6. choderalab/pymbar Public

    Python implementation of the multistate Bennett acceptance ratio (MBAR)

    Python 248 94