Graph Regression
The regression task is similar to graph classification but using different loss function and performance metric.
Papers
Showing 1–10 of 145 papers
All datasetsZINC-500kZINCPCQM4Mv2-LSCLipophilicityPCQM4M-LSCPeptides-structZINC 100kTox21ZINC-fullESOLQM9QM9: del e
Benchmark Results
| # | Model | Metric | Claimed | Verified | Status |
|---|---|---|---|---|---|
| 1 | EIGENFORMER | MAE | 0.26 | — | Unverified |
| 2 | ViT-PS | MAE | 0.26 | — | Unverified |
| 3 | CIN++-500k | MAE | 0.25 | — | Unverified |
| 4 | BoP | MAE | 0.25 | — | Unverified |
| 5 | TIGT | MAE | 0.25 | — | Unverified |
| 6 | CKGCN | MAE | 0.25 | — | Unverified |
| 7 | RDKit + LightGBM | MAE | 0.25 | — | Unverified |
| 8 | TT + LightGBM | MAE | 0.24 | — | Unverified |
| 9 | ECFP + LightGBM | MAE | 0.24 | — | Unverified |