general-molecular-simulations / so3lr
SO3LR Tauri: machine-learned force fields for reactive (bio)molecular simulations, from H to At
Why this job: works in the areas we cover, but does not say which job it does
What it does
SO3LR - pronounced *Solar* - is a pretrained machine-learned force field for (bio)molecular simulations. It integrates the fast and stable SO3krates neural network for semi-local interactions with universal pairwise force fields designed for short-range repulsion, long-range electrostatics, and dispersion interactions.
Get started
No single install command. Read the steps in the README (opens in new tab)
- Maintenance
- Active
- Last commit today
- Stars
- 293
- +14 this week
- Licence
- MIT
- Allows business use
- Downloads for
- None listed
- No release files
- Latest version
- v0.1.0
- Released 11 months ago
- Built with
- Python
- 96% of the code
Is it looked after?
- Contributors
- 1
- Last 90 days
- Issues
- 43% closed
- 17 still open
- Pull requests
- 35 merged
- 1 waiting
- Releases
- 2
- 1 in the last year
- No contributing guide
- No security policy
- No code of conduct
Similar repos
| Repo | Stars | Last commit | Licence | Downloads for |
|---|---|---|---|---|
| mir-group / nequip | 974 | 2 months ago | MIT | No downloads |
| atomicarchitects / equiformer_v2 | 354 | 7 months ago | MIT | No downloads |
| ACEsuit / mace-foundations | 324 | 2 months ago | MIT | No downloads |
More: languages, topics, project record and preview image
Languages
- Python 96%
- Cuda 4%
- Shell <1%
Topics
- interatomic-potentials
- jax
- molecular-dynamics
- quantum-chemistry
- computational-chemistry
- force-fields
- machine-learning
Project record
- JobOther AI tools
- StatusListed
- Commits988
- Forks44
- Watching5
- Stars in 28 days+56
- CreatedOct 5, 2024
- First seen by usNov 13, 2026
- CheckedNov 13, 2026