https://github.com/simongravelle/simongravelle
README file for Github profile
https://github.com/simongravelle/simongravelle
github inkscape molecular-dynamics
Last synced: 24 days ago
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README file for Github profile
- Host: GitHub
- URL: https://github.com/simongravelle/simongravelle
- Owner: simongravelle
- Created: 2021-12-16T21:35:47.000Z (over 3 years ago)
- Default Branch: main
- Last Pushed: 2024-10-27T15:59:26.000Z (7 months ago)
- Last Synced: 2024-10-27T18:31:16.881Z (7 months ago)
- Topics: github, inkscape, molecular-dynamics
- Language: Jupyter Notebook
- Homepage:
- Size: 49.7 MB
- Stars: 2
- Watchers: 2
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
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README
# Simon Gravelle
Computer physicist in soft matter and fluids at interfaces in LIPhy (UGA, CNRS),
in Grenoble, France.
## What I share here on GitHub:
- Molecular dynamics inputs for LAMMPS and GROMACS
- Scripts for preparing and analyzing molecular dynamics simulations
- Data and scripts from my [recent publications](https://github.com/simongravelle/publication-data)
## My Primary GitHub Organizations
- [
](https://github.com/lammpstutorials) LAMMPS tutorials -- Guides for LAMMPS beginners
- [
](https://github.com/mdcourse) MDCourse -- Step-by-Step Molecular Simulations with Python
## Other projects:
- GROMACS tutorials [:link:](https://gromacstutorials.github.io/) GROMACS step-by-step guides for absolute beginners
- NMRforMD [:link:](https://nmrformd.readthedocs.io) Python script for the calculation of H-NMR relaxation time
- MAICoS [:link:](https://maicos-devel.gitlab.io/maicos/index.html) molecular analysis of interfacial and confined systems
- Videos [:link:](https://www.youtube.com/c/SimonGravelle) of molecular simulations, mostly done with LAMMPS and GROMACS
## See also
- The gallery of molecules [:link:](https://github.com/simongravelle/gallery) high-resolution molecules with scripts
- ATB2LAMMPS [:link:](https://github.com/simongravelle/atb2lammps) a LAMMPS molecule template generator
- The plotting functions [:link:](https://github.com/simongravelle/pyplot-perso) that I use to generate my graphs