Dipole Moment Prediction (mu) on QM9 (5-fold cross-val)
19.58Representation construction time (s)Morgan FPs
Evaluation Results
| Method | Links | |
|---|---|---|
| Morgan FPsHardware=CPU2018.06 | 19.58 | |
| Graph, EmbHardware=GPU2018.06 | 169.72 | |
| WeaveHardware=GPU2018.06 | 1,504.77 | |
| Vertex, EmbHardware=GPU2018.06 | 8,279.03 | |
| GCNNHardware=GPU2018.06 | 9,051.37 |