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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. pierrepo/PBxplore pierrepo/PBxplore Public

    A suite of tools to explore protein structures with Protein Blocks 🐍

    Python 28 17

  3. MDAnalysis/panedr MDAnalysis/panedr Public

    Reads Gromacs EDR file to populate a pandas dataframe

    Python 31 7

  4. proxy-bookmarklet proxy-bookmarklet Public

    Create a bookmarklet that add your academic proxy to journals URL

    CSS 2 1

  5. Tsjerk/Insane Tsjerk/Insane Public

    INSert membrANE - A simple, versatile tool for building coarse-grained simulation systems

    Python 48 28

  6. xvg xvg Public

    Manipulate grace file in python

    Python 1