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Achievement: Pair Extraordinairex3Achievement: Pull Sharkx3Achievement: YOLOAchievement: QuickdrawAchievement: Arctic Code Vault Contributor
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Pinned

  1. alchemistry/alchemlyb alchemistry/alchemlyb Public

    the simple alchemistry library

    Python 179 48

  2. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.2k 636

  3. selimsami/qforce selimsami/qforce Public

    Python 57 13

  4. rocklinc rocklinc Public

    A python module for performing Rocklin Correction.

    Python 3 3

  5. alchemicalitp alchemicalitp Public

    The Gromacs itp file parser and writer for multi-step alchemical transformation.

    Python 3 3