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  1. usnistgov/feasst usnistgov/feasst Public

    The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-based simulations with Monte Carlo methods.

    C++ 33 13

  2. usnistgov/mayer-extrapolation usnistgov/mayer-extrapolation Public

    Use extrapolation of Mayer-sampling Monte Carlo to obtain virial coefficients over large ranges of parameter values. https://doi.org/10.1063/1.5016165

    Python 3

  3. usnistgov/WorkspaceLogger usnistgov/WorkspaceLogger Public archive

    The WorkspaceLogger is a script to log and analyze the workspaces you use on your Ubuntu computer.

    Python 2