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Benchmarks
Force Prediction on MD17 Ethanol
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0.136
MAE (kcal/mol/Å)
FCHL19
0.12584
0.19442
0.263
0.33158
Feb 5, 2021
MAE (kcal/mol/Å)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE (kcal/mol/Å)
FCHL19
Training Supervision=e...
2021.02
0.136
PhysNet
Training Supervision=e...
2021.02
0.16
NequIP
Training Supervision=f...
2021.02
0.208
PaiNN
Training Supervision=f...
2021.02
0.224
DimeNet
Training Supervision=e...
2021.02
0.23
PaiNN
Training Supervision=e...
2021.02
0.23
sGDML
Training Supervision=f...
2021.02
0.33
SchNet
Training Supervision=e...
2021.02
0.39
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