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Benchmarks
Force Prediction on MD17 Benzene
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0.14
MAE (kcal/mol/Å)
PhysNet-ens5
0.136
0.163
0.19
0.217
Feb 22, 2019
MAE (kcal/mol/Å)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE (kcal/mol/Å)
PhysNet-ens5
Training Supervision=e...
2019.02
0.14
PhysNet
Training Supervision=e...
2019.02
0.15
SchNet
Training Supervision=e...
2019.02
0.17
GDML
Training Supervision=f...
2019.02
0.24
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