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  1. alchemistry/alchemlyb alchemistry/alchemlyb Public

    the simple alchemistry library

    Python 201 51

  2. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.3k 656

  3. selimsami/qforce selimsami/qforce Public

    Python 57 13

  4. rocklinc rocklinc Public

    A python module for performing Rocklin Correction.

    Python 8 3

  5. alchemicalitp alchemicalitp Public

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

    Python 4 3