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Benchmarks
Molecular Property Prediction (EOSS) on PSB3 (test)
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0.03
MAE
NequIP
0.0224
0.0737
0.125
0.1763
Oct 3, 2025
MAE
RMSE
R2
Updated 9d ago
Evaluation Results
Method
Method
Links
MAE
RMSE
R2
NequIP
Target Type=Energy (E)
2025.10
0.03
0.07
0.99
RACE
Target Type=Energy (E)
2025.10
0.03
0.07
0.99
SchNet
Target Type=Energy (E)
2025.10
0.06
0.1
-
RACE
Target Type=Force (F)
2025.10
0.06
0.26
0.99
NequIP
Target Type=Force (F)
2025.10
0.09
0.28
0.99
SchNet
Target Type=Force (F)
2025.10
0.22
0.45
-
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