Reaction product prediction on RDG Out of Distribution Products 1
43.3BLEU ScoreChem4DLLM
Evaluation results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Chem4DLLM2026.03 | 43.3 | 8.3 | 9.24 | 56.2 | 30.6 | 29.5 | 94.8 | 0.459 | 1.117 | |
| 4D-MolT52026.03 | 36.6 | 5.5 | 7.413 | 48.9 | 20.4 | 19.9 | 95.4 | 0.761 | 1.231 | |
| 3D-MolT52026.03 | 34.6 | 1.9 | 7.274 | 48.3 | 18 | 16.9 | 98.4 | 0.906 | 1.254 | |
| Chem3D LLM2026.03 | 18 | 0 | 13.048 | 24.7 | 8.6 | 5.8 | 84.4 | 0.998 | 1.354 | |
| 4D Text-based2026.03 | 17.9 | 0 | 13.111 | 24.3 | 8.4 | 5.7 | 84.7 | 0.994 | 1.417 | |
| 3D-MoLM2026.03 | 14.9 | 0.2 | 13.377 | 28.4 | 10.2 | 9.1 | 59.8 | 1.906 | 2.051 |