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@SSAGESLabs

SSAGES Labs

Software Suite for Advanced General Ensemble Simulations

Popular repositories

  1. PySAGES PySAGES Public

    Python Suite for Advanced General Ensemble Simulations

    Python 49 23

  2. hoomd-dlext hoomd-dlext Public

    Wrapper for HOOMD-blue simulation data into DLPack data structures

    C++ 2 4

  3. openmm-dlext openmm-dlext Public

    Plugin for OpenMM providing simulation data wrappers as DLPack data structures

    C++ 2 4

  4. PySAGES-examples PySAGES-examples Public

    Repository that showcases examples of the use of PySAGES coupled to a number of MD engines

    Jupyter Notebook 2 2

  5. lammps-dlext lammps-dlext Public

    Wrapper for LAMMPS simulation data into DLPack data structures

    C++ 1

  6. staged-recipes staged-recipes Public

    Forked from conda-forge/staged-recipes

    A place to submit conda recipes before they become fully fledged conda-forge feedstocks

    Python

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