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  1. MCGPU MCGPU Public

    An open source GPU-enabled Monte Carlo program (MCGPU) that aims to routinely simulate chemical systems containing thousands to potentially millions of atoms.

    C++ 25 20

  2. IL IL Public

    Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)

    51 28

  3. DES DES Public

    Deep eutectic solvent force field parameters (OPLS-DES)

    12 2

  4. GAML GAML Public

    Genetic Algorithm Machine Learning (GAML) software package for automated force field parameterization.

    Python 14 5