molecules
Open Molecules 2025
Meta FAIR-Chem · 2025
Constitution
| Full name | Open Molecules 2025 |
| Curator | Meta FAIR-Chem |
| Size | ~110M molecular frames; ωB97X-D-quality energies and forces |
| DFT level | ωB97X-D / def2-TZVPD |
| Released | 2025 |
| License | CC-BY 4.0 |
| Primary paper | Levine et al., Open Molecules 2025: A Foundation Dataset for Molecular Chemistry, arXiv:2505.xxxxx (2025). |
Models trained on OMol25
| Model |
|---|
| AllScAIP |
| eSEN |
| MACE-POLAR-1 |
| UMA |