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Energy and Force Prediction on rMD17 Azobenzene
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5.4
Energy MAE (meV)
MACE
5.256
6.228
7.2
8.172
May 9, 2026
Energy MAE (meV)
Force MAE (meV/Å)
Updated 22d ago
Evaluation Results
Method
Method
Links
Energy MAE (meV)
Force MAE (meV/Å)
MACE
Training size=50 molec...
2026.05
5.4
17.7
MACE
Training size=50 molec...
2026.05
5.5
16.6
NequIP
Training size=50 molec...
2026.05
6
20
PACE
Training size=50 molec...
2026.05
6.7
17.5
ACE
Training size=50 molec...
2026.05
9
28.8
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