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1. OpenFreeEnergy/openfe OpenFreeEnergy/openfe Public

   The Open Free Energy toolkit

   Python 299 54

2. OpenFreeEnergy/gufe OpenFreeEnergy/gufe Public

   core data models of the Open Free Energy ecosystem

   Python 42 12

3. OpenFreeEnergy/konnektor OpenFreeEnergy/konnektor Public

   Algorithms for various Network Layouts and Tooling for planning FE Calculations

   Jupyter Notebook 23 5

4. hoomd-blue hoomd-blue Public

   Forked from glotzerlab/hoomd-blue

   HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU core to thousands of GPUs.

   C++ 1

5. correlator-hoomd-plugin correlator-hoomd-plugin Public

   An autocorrelation plug-in for HOOMD-blue based on Ramirez et al. DOI: 10.1063/1.3491098

   Python 7 5

6. glotzerlab/signac glotzerlab/signac Public

   Manage large and heterogeneous data spaces on the file system.

   Python 145 36