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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