Molecular Property Prediction on QM9 (random test)
0.235alpha (bohr^3)SchNet
Evaluation results
| Method | Links | ||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SchNet2021.06 | 0.235 | 0.033 | 63 | 41 | 34 | 0.033 | 14 | 14 | 0.073 | 19 | 14 | 1.7 | |
| TFN2021.06 | 0.223 | 0.064 | 58 | 40 | 38 | 0.101 | — | — | — | — | — | — | |
| SE(3)-Tr.2021.06 | 0.142 | 0.051 | 53 | 35 | 33 | 0.054 | — | — | — | — | — | — | |
| NMP2021.06 | 0.092 | 0.03 | 69 | 43 | 38 | 0.04 | 19 | 17 | 0.18 | 20 | 20 | 1.5 | |
| L1Net2021.06 | 0.088 | 0.043 | 68 | 46 | 35 | 0.031 | 14 | 14 | 0.354 | 14 | 13 | 1.56 | |
| Cormorant2021.06 | 0.085 | 0.038 | 61 | 34 | 38 | 0.026 | 20 | 21 | 0.961 | 21 | 22 | 2.03 | |
| LieConv2021.06 | 0.084 | 0.032 | 49 | 30 | 25 | 0.038 | 22 | 24 | 0.8 | 19 | 19 | 2.28 | |
| EGNN2021.06 | 0.071 | 0.029 | 48 | 29 | 25 | 0.031 | 12 | 12 | 0.106 | 12 | 11 | 1.55 | |
| SpinConv2021.06 | 0.058 | 0.027 | 47 | 26 | 22 | 0.028 | 12 | 11 | 0.156 | 12 | 12 | 1.5 | |
| SphereNet2021.06 | 0.047 | 0.027 | 32 | 24 | 19 | 0.022 | 8 | 6 | 0.292 | 7 | 6 | 1.12 | |
| DimeNet++2021.06 | 0.044 | 0.03 | 33 | 25 | 20 | 0.023 | 8 | 7 | 0.331 | 6 | 6 | 1.21 |