Regression on QM8 (scaffold split)
0.0143MAED-MPNN
Evaluation Results
| Method | Links | |
|---|---|---|
| D-MPNNMolecules=21,786, Tasks=122023.08 | 0.0143 | |
| SYN-FUSION MolCLRMolecules=21,786, Tasks=122023.08 | 0.0181 | |
| MolCLR_GINMolecules=21,786, Tasks=122023.08 | 0.0187 | |
| SYN-FUSION Hu et. alMolecules=21,786, Tasks=122023.08 | 0.0187 | |
| Hu et al.Molecules=21,786, Tasks=122023.08 | 0.0191 | |
| GCNMolecules=21,786, Tasks=122023.08 | 0.0366 | |
| GINMolecules=21,786, Tasks=122023.08 | 0.0371 | |
| RFMolecules=21,786, Tasks=122023.08 | 0.0423 | |
| SVMMolecules=21,786, Tasks=122023.08 | 0.0543 |