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Energy and force prediction on acetylacetone 600 K (test)
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4.43
E-RMSE (meV)
ICTP_sym
4.3656
4.8003
5.235
5.6697
May 23, 2024
E-RMSE (meV)
F-RMSE (meV/Å)
Updated 4d ago
Evaluation Results
Method
Method
Links
E-RMSE (meV)
F-RMSE (meV/Å)
ICTP_sym
Number of parameters=2...
2024.05
4.43
22.9
MACE
Number of parameters=2...
2024.05
4.6
22.4
MACE (re-run)
Number of parameters=2...
2024.05
4.96
23.25
ICTP_sym+lt
Number of parameters=2...
2024.05
5.12
24.05
ICTP_full
Number of parameters=2...
2024.05
5.39
23.21
NequIP
Number of parameters=3...
2024.05
6.04
27.8
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