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I spend most of my free time creating open source content here on Github. If you feel like it, any contribution is appreciated. You can also join Patreon for some extra content and some news and update.
Featured work
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simongravelle/lammps-input-files
LAMMPS inputs and data files
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lammpstutorials/lammpstutorials.github.io
LAMMPS tutorials for both beginners and advanced users
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simongravelle/gromacs-input-files
GROMACS input files
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mdcourse/mdcourse.github.io
Learn molecular simulation with Python
Python 10 -
simongravelle/nmrformd
NMRforMD is a python script for the calculation of NMR relaxation time T1 and T2 from molecular dynamics trajectory file.
Python 19 -
gromacstutorials/gromacstutorials.github.io
Repository of the gromacstutorials webpage