Reaction product prediction on RDG Out of Distribution Both 1
0.418BLEUChem4DLLM
Evaluation results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Chem4DLLM2026.03 | 0.418 | 4.6 | 10.092 | 0.52 | 0.249 | 0.234 | 90.3 | 0.71 | 1.379 | |
| 3D-MolT52026.03 | 0.356 | 2.1 | 7.702 | 0.479 | 0.188 | 0.177 | 95.9 | 0.994 | 1.454 | |
| 4D-MolT52026.03 | 0.338 | 4.6 | 8.2 | 0.46 | 0.198 | 0.193 | 86 | 1.004 | 1.56 | |
| Chem3D LLM2026.03 | 0.214 | 0 | 12.545 | 0.267 | 0.099 | 0.06 | 91.5 | 1.132 | 1.433 | |
| 4D Text-based2026.03 | 0.209 | 0 | 12.653 | 0.26 | 0.095 | 0.058 | 90.3 | 1.068 | 1.45 | |
| 3D-MoLM2026.03 | 0.132 | 0 | 14.419 | 0.218 | 0.086 | 0.082 | 43.7 | 4.384 | 4.692 |