E1-CC2 on QM8 (5-fold cross-validation)
3.6Representation Construction Time (s)Morgan FPs
Evaluation results
| Method | Links | |
|---|---|---|
| Morgan FPsHardware=CPU2018.06 | 3.6 | |
| Graph, EmbHardware=GPU2018.06 | 33.43 | |
| WeaveHardware=GPU2018.06 | 262.16 | |
| GCNNHardware=GPU2018.06 | 382.72 | |
| WLHardware=CPU2018.06 | 584.98 | |
| Vertex, EmbHardware=GPU2018.06 | 966.49 |