catalysis
Open Catalyst 2020
Meta FAIR-Chem (formerly OCP) · 2020
Constitution
| Full name | Open Catalyst 2020 |
| Curator | Meta FAIR-Chem (formerly OCP) |
| Size | ~1.3M relaxations, ~265M structure-energy pairs along the relaxation paths |
| DFT level | RPBE; VASP |
| Released | 2020 |
| License | CC-BY 4.0 |
| DOI | https://doi.org/10.1021/acscatal.0c04525 |
| Primary paper | Chanussot et al., Open Catalyst 2020 (OC20) Dataset and Community Challenges, ACS Catal. (2021). |
Models trained on OC20
| Model |
|---|
| DimeNet++ |
| EquiformerV2 |
| eSCN |
| GemNet |
| PaiNN |
| SchNet |
| SCN |
| TorchMD-Net |
| UMA |