FitSNAP
A Package For Training SNAP Interatomic Potentials for use in the LAMMPS molecular dynamics package.
README
A Python package for machine learning potentials with LAMMPS. Documentation page: https://fitsnap.github.io Colab Python notebook tutorial: https://colab.research.google.com/github/FitSNAP/FitSNAP/blob/master/tutorial.ipynb How to cite Rohskopf et al., (2023). FitSNAP: Atomistic machine learning with LAMMPS. Journal of Open Source Software, 8(84), 5118, https://doi.org/10.21105/joss.05118 Dependencies: This package expects Python 3.10+ Python dependencies: See pyproject.toml Compile LAMMPS as a…
- Repository
- github.com/fitsnap/fitsnap
Source attribution
- GitHub — github.com/fitsnap/fitsnap
- Awesome Python Chemistry — github.com/fitsnap/fitsnap
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