mir-group / allegro
Allegro is a code for building highly scalable E(3)-equivariant interatomic potentials
Why this job: works in the areas we cover, but does not say which job it does
What it does
In particular, allegro implements the Allegro model as an extension package for the NequIP framework.
Get started
pip install nequip-allegro- Maintenance
- Active
- Last commit 5 months ago
- Stars
- 507
- On GitHub
- Licence
- MIT
- Allows business use
- Downloads for
- None listed
- No release files
- Latest version
- v0.8.3
- Released 5 months ago
- Built with
- Python
- 100% of the code
Is it looked after?
- Contributors
- Not stated
- Last 90 days
- Issues
- 98% closed
- 1 still open
- Pull requests
- 7 merged
- 1 waiting
- Releases
- 14
- 4 in the last year
- No contributing guide
- No security policy
- No code of conduct
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More: languages, topics and project record
Languages
- Python 100%
Topics
- atomistic-simulations
- computational-chemistry
- deep-learning
- drug-discovery
- force-fields
- interatomic-potentials
- machine-learning
- materials-science
- molecular-dynamics
- pytorch
Project record
- JobOther AI tools
- StatusListed
- Commits362
- Forks76
- Watching19
- Stars in 28 days+2
- CreatedFeb 6, 2022
- First seen by usNov 7, 2026
- CheckedNov 8, 2026