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  1. 2DMaterialsOpticalProps 2DMaterialsOpticalProps Public

    Fortran

  2. plotly-mathematica plotly-mathematica Public

    A package for plotting plot.ly graphs in Wolfram Mathematica

    Mathematica 25 9

  3. khsrali/Sorella_MD khsrali/Sorella_MD Public

    C++

  4. Free-Energy-Scripts Free-Energy-Scripts Public

    A set of scripts designed for batch creation of Gromacs inputs for Free Energy calculations (TI,BAR,MBAR,Umbrella sampling)).

    Python 1

  5. SublimeFortran SublimeFortran Public

    Fortran syntax highlighting for Sublime Text 3

    HTML 47 30

  6. gmxplumed gmxplumed Public

    Dockerfile for Gromacs wih GPU support and PLUMED plugin.

    Dockerfile 1 2