PrototypeCommon
AIRI-Institute/nablaDFT
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
- Owner
- AIRI-Institute (organization)
- Stars
- Stars: 241
- Forks
- Forks: 25
- Language
- Python
- License
- MIT
- Created
- 2022
- Topics
- benchmarkmachine-learningmolecular-modelingquantum-chemistrydatasetdensity-functional-theorydft
- Tier
- Prototype (100 to 249 ★) What this tier means
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