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  1. espresso espresso Public

    Forked from espressomd/espresso

    The ESPResSo package

    C++

  2. MDAnalysis/mdanalysis MDAnalysis/mdanalysis Public

    MDAnalysis is a Python library to analyze molecular dynamics simulations.

    Python 1.6k 823

  3. maicos-devel/maicos maicos-devel/maicos Public

    Analyse molecular dynamics simulations of interfacial and confined systems.

    Python 12 6

  4. zField zField Public

    Utilities for predicting tensorial per atom quantities in MLIPs

    Python