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Shirts Research Group

Popular repositories

  1. InterMol InterMol Public

    Conversion tool for molecular simulations

    Python 173 53

  2. physical_validation physical_validation Public

    Physical validation of molecular simulations

    Python 55 18

  3. cg_openmm cg_openmm Public

    Tools to build coarse grained models and perform simulations with OpenMM

    Python 19 8

  4. checkensemble checkensemble Public

    This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic ensemble it is performed in.

    Python 14 8

  5. software-physical-validation software-physical-validation Public

    Best Practices article (intended for LiveCoMS) treating simulation software validation and physical validation

    TeX 9 2

  6. cg_pyrosetta cg_pyrosetta Public

    A python package which enables CG residues in a working version of PyRosetta

    Jupyter Notebook 7 1

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