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ResearchFormerly WizWand

Simulation Speed Estimation on Standard periodic atomic system (50 neighbors, 6Å cutoff)

89Steps per SecondMACE-OFF23-L
-3.45620.54744.5568.553Jun 30, 2025
Updated 8mo ago

Evaluation results

MethodLinks
MACE-OFF23-LAtoms=100, Number of Parameters=4.7M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0689
Orb-v3 conservative-inf-omatAtoms=100, Number of Parameters=25M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0677
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+2025.0653
UMA-SAtoms=100, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0644
MACE-MPA-0Atoms=100, Number of Parameters=9M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0638
Orb-v3 conservative-inf-omatAtoms=1,000, Number of Parameters=25M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0630
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+2025.0624
MACE-MPA-0Atoms=1,000, Number of Parameters=9M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0624
UMA-MAtoms=100, Number of Parameters=50M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0621
MACE-OFF23-LAtoms=1,000, Number of Parameters=4.7M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0620
UMA-SAtoms=1,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.0616
eSEN-30M-OAMAtoms=100, Number of Parameters=30M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.068
Orb-v3 conservative-inf-omatAtoms=10,000, Number of Parameters=25M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.063.7
UMA-MAtoms=1,000, Number of Parameters=50M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.063
MACE-MPA-0Atoms=10,000, Number of Parameters=9M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.062.9
eSEN-30M-OAMAtoms=1,000, Number of Parameters=30M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.061.7
UMA-SAtoms=10,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.061.6
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+2025.061.3
UMA-SAtoms=50,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.060.2
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+2025.060.2
UMA-MAtoms=10,000, Number of Parameters=50M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.060.2
UMA-SAtoms=100,000, Number of Parameters=6.6M, Hardware=Nvidia H100 80GB GPU, Precision=FP32 (TF32-high precision)2025.060.1
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+2025.060.1