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@shirtsgroup @github-beta @mdtraj @ParmEd @mosdef-hub @insitro

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  1. insitro/redun insitro/redun Public

    Yet another redundant workflow engine

    Python 513 43

  2. mdtraj/mdtraj mdtraj/mdtraj Public

    An open library for the analysis of molecular dynamics trajectories

    Python 584 277

  3. mosdef-hub/mbuild mosdef-hub/mbuild Public

    A hierarchical, component based molecule builder

    Python 171 80

  4. mosdef-hub/foyer mosdef-hub/foyer Public

    A package for atom-typing as well as applying and disseminating forcefields

    Python 119 77

  5. shirtsgroup/InterMol shirtsgroup/InterMol Public

    Conversion tool for molecular simulations

    Python 186 53

  6. ParmEd/ParmEd ParmEd/ParmEd Public

    Parameter/topology editor and molecular simulator

    Python 385 148