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Benchmarks
Energy Prediction on MD17 Benzene
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0.04
MAE (kcal/mol)
DTNN
0.0388
0.0469
0.055
0.0631
Feb 22, 2019
MAE (kcal/mol)
Updated 4d ago
Evaluation Results
Method
Method
Links
MAE (kcal/mol)
DTNN
Training Supervision=e...
2019.02
0.04
HIP-NN
Training Supervision=e...
2019.02
0.06
GDML
Training Supervision=f...
2019.02
0.07
SchNet
Training Supervision=e...
2019.02
0.07
PhysNet
Training Supervision=e...
2019.02
0.07
PhysNet-ens5
Training Supervision=e...
2019.02
0.07
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