Band gap (Egc) prediction on polymer electronic property dataset (test)
0.441RMSE (eV)Periodic-TDL
Evaluation results
| Method | Links | |
|---|---|---|
| Periodic-TDLPre-training=PI1M dataset, Architecture=HSMP encoder, Evaluation protocol=five-fold cross-validation2026.05 | 0.441 | |
| MMPolymerArchitecture=multimodal, Evaluation protocol=five-fold cross-validation2026.05 | 0.448 | |
| TransPolymerArchitecture=sequence-based, Evaluation protocol=five-fold cross-validation2026.05 | 0.462 | |
| polyBERTArchitecture=sequence-based, Evaluation protocol=five-fold cross-validation2026.05 | 0.483 | |
| TransChemArchitecture=multimodal, Evaluation protocol=five-fold cross-validation2026.05 | 0.483 | |
| MolCLR (GIN)Architecture=graph-based (GIN), Evaluation protocol=five-fold cross-validation2026.05 | 0.484 | |
| polyGNNArchitecture=graph-based, Evaluation protocol=five-fold cross-validation2026.05 | 0.524 | |
| MolCLR (GCN)Architecture=graph-based (GCN), Evaluation protocol=five-fold cross-validation2026.05 | 0.555 | |
| Morgan (NN)Architecture=fingerprint-based (NN), Evaluation protocol=five-fold cross-validation2026.05 | 0.559 |