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  1. MLST-2022-SI MLST-2022-SI Public

    Data and codes related to our MLST 2022 publication

    Jupyter Notebook 1

  2. tune-lj tune-lj Public

    FORTRAN codes to tune Lennard-Jones parameters

    Fortran

  3. MD-post-processing MD-post-processing Public

    Programs and modules for analysing Molecular Dynamics trajectories

    Fortran