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Energy and force prediction on 3BPA (Dihedral slices)
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7.8
Energy RMSE
MACE
6.7644
13.7547
20.745
27.7353
May 23, 2024
Energy RMSE
Force RMSE
Updated 4d ago
Evaluation Results
Method
Method
Links
Energy RMSE
Force RMSE
MACE
Citation Context=[33]
2024.05
7.8
16.5
MACE
Evaluation Mode=re-run
2024.05
8.56
17.69
ICTP full
2024.05
9.82
17.52
ICTP sym
2024.05
10.64
17.18
ICTP sym+lt
2024.05
13.03
19.31
NequIP
Inference Results Sour...
2024.05
23.2
23.1
MACE
Ntrain=50
2024.05
27.79
48.91
ICTPsym
Ntrain=50
2024.05
31.06
47.68
ICTPsym+lt
Ntrain=50
2024.05
33.44
49.08
ICTPfull
Ntrain=50
2024.05
33.69
47.12
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