Polymer property prediction on Polymer property prediction dataset 1.0 (test)
0.0378GAP ErrorMGT + LapPE
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MGT + LapPENo. Params=499k2023.02 | 0.0378 | 0.027 | 0.03 | |
| MGT + RWPENo. Params=499k2023.02 | 0.0384 | 0.0274 | 0.029 | |
| MGT + WavePENo. Params=499k2023.02 | 0.0387 | 0.0283 | 0.029 | |
| GPSNo. Params=600k2023.02 | 0.0467 | 0.0322 | 0.0385 | |
| GCN + Virtual NodeNo. Params=557k2023.02 | 0.0589 | 0.0458 | 0.0482 | |
| GINE + Virtual NodeNo. Params=557k2023.02 | 0.087 | 0.0565 | 0.0524 | |
| GINENo. Params=527k2023.02 | 0.1018 | 0.0749 | 0.0764 | |
| GCNNo. Params=527k2023.02 | 0.1094 | 0.0648 | 0.0864 | |
| Transformer + LapPENo. Params=700k2023.02 | 0.2949 | 0.12 | 0.1547 |