Molecular Energy Prediction on QM9
0.14MAEPhysNet-ens5
Evaluation Results
| Method | Links | |
|---|---|---|
| PhysNet-ens5Training set size=110 4262019.02 | 0.14 | |
| PhysNet-ens5Training set size=100 0002019.02 | 0.14 | |
| PhysNetTraining set size=110 4262019.02 | 0.19 | |
| PhysNetTraining set size=100 0002019.02 | 0.19 | |
| PhysNet-ens5Training set size=50 0002019.02 | 0.24 | |
| HIP-NNN_train + N_validate=1104262017.09 | 0.256 | |
| HIP-NNTraining set size=110 4262019.02 | 0.26 | |
| HIP-NNTraining set size=100 0002019.02 | 0.26 | |
| PhysNetTraining set size=50 0002019.02 | 0.3 | |
| SchNetN_train + N_validate=1104262017.09 | 0.31 | |
| SchNetTraining set size=110 4262019.02 | 0.31 | |
| enn-s2s-ens5Training set size=110 4262019.02 | 0.33 | |
| SchNetTraining set size=100 0002019.02 | 0.34 | |
| HIP-NNTraining set size=50 0002019.02 | 0.35 | |
| MPNNN_train + N_validate=1104262017.09 | 0.42 | |
| SchNetTraining set size=50 0002019.02 | 0.49 | |
| DTNNN_train + N_validate=1104262017.09 | 0.84 | |
| DTNNTraining set size=100 0002019.02 | 0.84 | |
| DTNNTraining set size=50 0002019.02 | 0.94 |