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Benchmarks
Energy Prediction on Dihedral scan
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0.22
MAE (mHa)
MōLe
-0.386
3.7045
7.795
11.8855
Feb 23, 2026
MAE (mHa)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE (mHa)
MōLe
Complexity=O(N5), Trai...
2026.02
0.22
MōLe-100
Complexity=O(N5), Trai...
2026.02
0.33
MACE (∆-MP2)
Complexity=O(N5), Trai...
2026.02
0.35
eSEN (∆-MP2)
Complexity=O(N5), Trai...
2026.02
0.59
MACE-100 (∆-MP2)
Complexity=O(N5), Trai...
2026.02
0.79
eSEN-100 (∆-MP2)
Complexity=O(N5), Trai...
2026.02
2.74
MACE
Complexity=O(N)–O(N2),...
2026.02
4.61
MACE-100
Complexity=O(N)–O(N2),...
2026.02
15.37
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