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Interatomic Potential Prediction on 3BPA 1200 K
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29.8
Energy RMSE (meV)
ICTP full
28.672
36.286
43.9
51.514
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
2024.05
29.8
62.82
MACE
Citation Context=[33]
2024.05
29.8
62
ICTP sym
2024.05
30.84
64.54
MACE
Evaluation Mode=re-run
2024.05
31.15
65.22
ICTP sym+lt
2024.05
31.32
65.36
NequIP
Citation Context=[34]
2024.05
38.52
76.18
CACE
2024.05
58
113.8
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