SMILES-to-Spectra Prediction on SpecMol-Bench MS
0.423Cosine SimilaritySpecMol
Evaluation results
| Method | Links | |
|---|---|---|
| SpecMolNumber of Parameters=7B2025.09 | 0.423 | |
| GPT-5-mini2025.09 | 0.223 | |
| o3-mini2025.09 | 0.185 | |
| KIMI-K22025.09 | 0.074 | |
| Qwen3Number of Parameters=235B2025.09 | 0.046 | |
| Deepseek-V3Number of Parameters=685B2025.09 | 0.021 |