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1. PySAGES PySAGES Public

   Python Suite for Advanced General Ensemble Simulations

   Python 74 26

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. lammps-dlext lammps-dlext Public

   Wrapper for LAMMPS simulation data into DLPack data structures

   C++ 2 1

5. 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

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