This is a benchmark that evaluates the average speed of running energy and force calculations on 10-, 100-, and 1000-atom molecular and periodic systems. All calculations were run on Nvidia A10G GPUs through Modal. See all speed results.
Name | ||||||
---|---|---|---|---|---|---|
UMA Medium 1.1 (OMol task) | 0.15 | 0.15 | 0.18 | 0.15 | 0.15 | 0.20 |
UMA Small 1.1 (OMol task) | 0.15 | 0.16 | 0.18 | 0.19 | 0.15 | 0.18 |
UMA Medium 1.1 (OMC task) | 0.15 | 0.15 | 0.18 | 0.15 | 0.15 | 0.18 |
UMA Small 1.1 (OMC task) | 0.15 | 0.15 | 0.18 | 0.15 | 0.15 | 0.18 |
Orb-v2 | 0.16 | 0.15 | 0.19 | 0.18 | 0.17 | 0.20 |
Orb-v3 (Conservative Inf. OMat) | 0.20 | 0.24 | 0.24 | 0.20 | 0.21 | 0.24 |
Orb-d3-v2 | 0.20 | 0.20 | 0.24 | 0.20 | 0.21 | 0.24 |
Orb-v3 (Conservative 20 OMat) | 0.20 | 0.20 | 0.24 | 0.21 | 0.22 | 0.26 |
Orb-v3 (Direct Inf. OMat) | 0.20 | 0.21 | 0.24 | 0.20 | 0.21 | 0.24 |
Orb-v3 (Direct 20 OMat) | 0.20 | 0.21 | 0.25 | 0.26 | 0.21 | 0.24 |
OMol25's eSEN Conserving Small | 0.21 | 0.22 | 0.25 | |||
Prescient's StrainRelief MACE | 0.23 | 0.23 | 0.25 | 0.23 | 0.23 | 0.25 |
UMA Small (OMol task) | 0.22 | 0.22 | 0.26 | 0.22 | 0.23 | 0.26 |
MACE-ANI-CC | 0.24 | 0.24 | 0.32 | 0.24 | 0.24 | 0.32 |
AIMNet2 (ΟB97M-D3, old) | 0.26 | 0.26 | 0.34 | 0.50 | 0.46 | 0.33 |
MACE-MP-0(Large)-D3BJ | 0.33 | 0.33 | 0.36 | 0.33 | 0.34 | 0.42 |
MACE-MP-0b2(Large)-D3BJ | 0.33 | 0.33 | 0.37 | 0.33 | 0.36 | 0.37 |
MACE-MP-0b2(Large) | 0.33 | 0.33 | 0.37 | 0.33 | 0.33 | 0.37 |
MACE-MP-0(Large) | 0.32 | 0.33 | 0.38 | 0.33 | 0.34 | 0.38 |
Egret-1e | 0.33 | 0.35 | 0.49 | 0.33 | 0.36 | 0.50 |
Egret-1t | 0.33 | 0.35 | 0.50 | 0.33 | 0.36 | 0.50 |
Egret-1 | 0.33 | 0.37 | 0.72 | 0.34 | 0.36 | 0.50 |
AIMNet2 (ΟB97M-D3, new) | 17.86 | 18.12 | 29.23 | 22.72 | 28.56 | 51.80 |
eSEN-OAM | 0.33 | 0.33 | 0.34 | 0.34 | ||
OMat24 eqV2-L | 0.32 | 0.34 | 0.33 |