OC
Benchmarks
TaskDatasetSOTA resultTrendResults
OC20 IS2RE (test)
0.371MAE
16
OC20 IS2RE (test)
309Energy MAE (meV)
15
OC20 IS2RE (OOD Cat)
0.505Energy MAE (eV)
14
OC22 IS2RS 1.0 (val)
63.01ADwT (ID)
12
OC20 IS2RE (val)
403MAE
11
OC20 average across all four splits (test)
348Energy MAE (meV)
10
OC20 IS2RE (Out-of-Domain Catalyst)
0.537Energy MAE (eV)
8
OC22 S2EF-Total OOD (val)
580Energy MAE (meV)
6
OC22 S2EF-Total ID (val)
343Energy MAE (meV)
6
OC20 IS2RE
0.602Energy MAE (eV)
5
OC20 IS2RE (OOD Ads)
0.668Energy MAE (eV)
5
OC20 IS2RE ID (test)
0.422eV MAE
5
OC20 NEB LAMBench
1.6MAE Activation Energy (eV)
4
OC20Bench catalytic reaction
77.4Type Accuracy
3
OC20 Total Energy ID (val)
32.6Energy MAE
3
OC 2020 (test)
52.7ADwT (OOD Both)
2