SMILES-to-Spectra Prediction on SpecMol-Bench 1H-NMR
44.9Jaccard IndexSpecMol
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| SpecMolNumber of Parameters=7B2025.09 | 44.9 | 65.8 | 0.033 | |
| GPT-5-mini2025.09 | 22.3 | 49.5 | 0.048 | |
| KIMI-K22025.09 | 21.6 | 51.3 | 0.052 | |
| Deepseek-V3Number of Parameters=685B2025.09 | 20.9 | 52.6 | 0.053 | |
| o3-mini2025.09 | 16.4 | 41.9 | 0.051 | |
| Qwen3Number of Parameters=235B2025.09 | 16.2 | 42.6 | 0.052 |