Glass transition temperature (Tg) prediction on polymer thermal property dataset (test)
34.68RMSE (°C)Periodic-TDL
Evaluation results
| Method | Links | |
|---|---|---|
| Periodic-TDLPre-training=PI1M dataset, Architecture=HSMP encoder, Evaluation protocol=five-fold cross-validation2026.05 | 34.68 | |
| TransChemArchitecture=multimodal, Evaluation protocol=five-fold cross-validation2026.05 | 35.72 | |
| MMPolymerArchitecture=multimodal, Evaluation protocol=five-fold cross-validation2026.05 | 35.77 | |
| TransPolymerArchitecture=sequence-based, Evaluation protocol=five-fold cross-validation2026.05 | 35.81 | |
| polyBERTArchitecture=sequence-based, Evaluation protocol=five-fold cross-validation2026.05 | 36.33 | |
| Morgan (NN)Architecture=fingerprint-based (NN), Evaluation protocol=five-fold cross-validation2026.05 | 37.99 | |
| MolCLR (GIN)Architecture=graph-based (GIN), Evaluation protocol=five-fold cross-validation2026.05 | 41.53 | |
| polyGNNArchitecture=graph-based, Evaluation protocol=five-fold cross-validation2026.05 | 43.35 | |
| MolCLR (GCN)Architecture=graph-based (GCN), Evaluation protocol=five-fold cross-validation2026.05 | 44.1 |