Structure to Energy and Forces on Open Catalyst Project S2EF OC20 (test)
0.2701Energy MAE (eV)GemNet-XL
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| GemNet-XL#Params=300M, Training GPU-days=19622022.03 | 0.2701 | 0.0204 | 0.6603 | 1.81 | |
| GemNet-T#Params=31M, Training GPU-days=472022.03 | 0.2924 | 0.0242 | 0.6162 | 1.2 | |
| SpinConv#Params=8.9M, Training GPU-days=762022.03 | 0.3363 | 0.0297 | 0.5391 | 0.45 | |
| ForceNet-Large#Params=34.8M, Training GPU-days=1942022.03 | 2.2628 | 0.0312 | 0.5195 | 0.01 | |
| DimeNet++-Large#Params=10.8M, Training GPU-days=16002022.03 | 31.5409 | 0.0313 | 0.544 | 0 |