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Benchmarks
Interatomic Potential Prediction on 3BPA 300 K
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2.7
Energy RMSE (meV)
ICTP full
2.556
3.528
4.5
5.472
May 23, 2024
Energy RMSE (meV)
Force RMSE (meV/Å)
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy RMSE (meV)
Force RMSE (meV/Å)
ICTP full
Inference time (ms/str...
2024.05
2.7
9.45
ICTP sym
Inference time (ms/str...
2024.05
2.7
9.39
MACE
Inference time (ms/str...
2024.05
2.81
9.47
ICTP sym+lt
Inference time (ms/str...
2024.05
2.98
9.57
MACE
Batch size=100, Traini...
2024.05
3
8.8
NequIP
Batch size=100, Traini...
2024.05
3.28
10.77
CACE
Batch size=100, Traini...
2024.05
6.3
21.4
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