All pre-trained model checkpoints were obtained directly from ocp. For convenience, we provide a pointer to the checkpoints used in this work below:
| Model | Download | ML+SP Success Rate @k=5 |
|---|---|---|
| SchNet | checkpoint | 5.04% |
| DimeNet++ | checkpoint | 10.79% |
| PaiNN | checkpoint | 39.57% |
| GemNet-OC | checkpoint | 82.94% |
| GemNet-OC All+MD | checkpoint | 84.38% |
| GemNet-OC-Large All+MD | checkpoint | 86.02% |
| SCN-Large All+MD | checkpoint | 87.77% |
For more details please visit https://github.com/Open-Catalyst-Project/ocp/blob/main/MODELS.md.