AIRI-Institute / nablaDFT
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Why this job: says: benchmark; topics: benchmark
Get started
No single install command. Read the steps in the README (opens in new tab)
- Maintenance
- Inactive
- Last commit 10 months ago
- Stars
- 241
- On GitHub
- Licence
- MIT
- Allows business use
- Downloads for
- None listed
- No release files
- Latest version
- v1.0
- Released 2 years ago
- Built with
- Python
- 100% of the code
Is it looked after?
- Contributors
- Not stated
- Last 90 days
- Issues
- 89% closed
- 3 still open
- Pull requests
- 28 merged
- 0 waiting
- Releases
- 1
- 0 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%
- Shell <1%
Topics
- benchmark
- machine-learning
- molecular-modeling
- quantum-chemistry
- dataset
- density-functional-theory
- dft
Project record
- JobEvals and observability
- StatusListed
- Commits390
- Forks25
- Watching3
- Stars in 28 days+1
- CreatedAug 18, 2022
- First seen by usNov 7, 2026
- CheckedNov 8, 2026