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Benchmarks
Energy and Force Prediction on rMD17 Ethanol (test)
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0.4
Energy
NequIP
0.068
2.309
4.55
6.791
Jun 10, 2023
Dec 4, 2023
May 29, 2024
Nov 23, 2024
May 19, 2025
Nov 12, 2025
May 9, 2026
Energy
Forces
Updated 22d ago
Evaluation Results
Method
Method
Links
Energy
Forces
NequIP
2023.06
0.4
2.8
Allegro
2023.06
0.4
2.1
BOTNet
2023.06
0.4
3.2
MACE
2023.06
0.4
2.1
TensorNet
Layers=1L, Parameters=...
2023.06
0.5
3.9
TensorNet
Layers=2L, Parameters=...
2023.06
0.5
3.5
MACE
Training size=50 molec...
2026.05
3
15.7
PACE
Training size=50 molec...
2026.05
6.3
25.4
MACE
Training size=50 molec...
2026.05
6.7
32.6
ACE
Training size=50 molec...
2026.05
8.6
43
NequIP
Training size=50 molec...
2026.05
8.7
40.2
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