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Interatomic Potential Prediction on 3BPA 600 K
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9.7
Energy RMSE (meV)
MACE
9.368
11.609
13.85
16.091
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)
MACE
Citation Context=[33]
2024.05
9.7
21.8
ICTP sym+lt
2024.05
10.29
23.03
ICTP sym
2024.05
10.38
22.87
ICTP full
2024.05
10.74
22.99
MACE
Evaluation Mode=re-run
2024.05
11.11
23.27
NequIP
Citation Context=[34]
2024.05
11.16
26.37
CACE
2024.05
18
45.2
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