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Energy and Force Prediction on rMD17 Aspirin
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10.8
Energy MAE (meV)
MACE
10.184
14.342
18.5
22.658
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
10.8
26.4
PACE
Training size=50 molec...
2026.05
15.7
37.4
MACE
Training size=50 molec...
2026.05
17
43.9
NequIP
Training size=50 molec...
2026.05
19.5
52
ACE
Training size=50 molec...
2026.05
26.2
63.8
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