OMol25
Meta FAIR's open dataset of DFT calculations on diverse molecules, with evaluations and baseline models.
| Category | Datasets & benchmarks |
|---|---|
| GitHub | facebookresearch/fairchem |
| First public | 2025-05-13 (source) |
| Paper | https://arxiv.org/abs/2505.08762 · arXiv preprint (2025) |
| License | Custom (see dataset card) |
| Pricing | Open source |
| Tags | #dft#molecules#ml-potentials |
| Last checked | 2026-10-16 |
Specs
| Size | — |
|---|---|
| Modality | Molecular DFT calculations |
| Access | Hugging Face |
| GitHub stars | 2,295 |
| Interface | — |
Specs come from each project's README, paper or official page · OMol25 site · OMol25 paper. “—” means we couldn't verify it.
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