Simulation Speed Estimation on Standard periodic atomic system (50 neighbors, 6Å cutoff)
89Steps per SecondMACE-OFF23-L
Evaluation Results
| Method | Links | |
|---|---|---|
| MACE-OFF23-LAtoms=100, Number of Parameters=4.7M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 89 | |
| Orb-v3 conservative-inf-omatAtoms=100, Number of Parameters=25M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 77 | |
| UMA-S-1.2Atoms=100, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision), Software Optimization=fairchem-2.16.0+2025.06 | 53 | |
| UMA-SAtoms=100, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 44 | |
| MACE-MPA-0Atoms=100, Number of Parameters=9M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 38 | |
| Orb-v3 conservative-inf-omatAtoms=1,000, Number of Parameters=25M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 30 | |
| UMA-S-1.2Atoms=1,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision), Software Optimization=fairchem-2.16.0+2025.06 | 24 | |
| MACE-MPA-0Atoms=1,000, Number of Parameters=9M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 24 | |
| UMA-MAtoms=100, Number of Parameters=50M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 21 | |
| MACE-OFF23-LAtoms=1,000, Number of Parameters=4.7M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 20 | |
| UMA-SAtoms=1,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 16 | |
| eSEN-30M-OAMAtoms=100, Number of Parameters=30M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 8 | |
| Orb-v3 conservative-inf-omatAtoms=10,000, Number of Parameters=25M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 3.7 | |
| UMA-MAtoms=1,000, Number of Parameters=50M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 3 | |
| MACE-MPA-0Atoms=10,000, Number of Parameters=9M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 2.9 | |
| eSEN-30M-OAMAtoms=1,000, Number of Parameters=30M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 1.7 | |
| UMA-SAtoms=10,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 1.6 | |
| UMA-S-1.2Atoms=10,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision), Software Optimization=fairchem-2.16.0+2025.06 | 1.3 | |
| UMA-SAtoms=50,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 0.2 | |
| UMA-S-1.2Atoms=50,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision), Software Optimization=fairchem-2.16.0+2025.06 | 0.2 | |
| UMA-MAtoms=10,000, Number of Parameters=50M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 0.2 | |
| UMA-SAtoms=100,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.06 | 0.1 | |
| UMA-S-1.2Atoms=100,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision), Software Optimization=fairchem-2.16.0+2025.06 | 0.1 |