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1. hoomdxml_readerhoomdxml_readerPublic

   Python library to read in legacy HOOMD-blue XML files and current GSD files and convert to mbuild Compounds

   Python

2. mbuild_cell_listmbuild_cell_listPublic

   A cell list designed to work with mbuild compounds.

   Python 1

3. choderalab/chironchoderalab/chironPublic

   Differentiable Markov Chain Monte Carlo

   Python 14 1

4. choderalab/modelforgechoderalab/modelforgePublic

   Infrastructure to implement and train NNPs

   Python 13 5

5. modelforgemodelforgePublic

   Forked fromchoderalab/modelforge

   Infrastructure to implement and train NNPs

   Python 1

6. chironchironPublic

   Forked fromchoderalab/chiron

   Python