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Benchmarks
Energy and Force Prediction on rMD17 Malonaldehyde
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6.7
Energy MAE (meV)
MACE
6.456
8.103
9.75
11.397
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
6.7
25.2
MACE
Training size=50 molec...
2026.05
10
43.3
PACE
Training size=50 molec...
2026.05
11.5
57.3
NequIP
Training size=50 molec...
2026.05
12.7
52.5
ACE
Training size=50 molec...
2026.05
12.8
63.5
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