NMR spectral simulation on SpecMol-Bench 1H-NMR 1.0 (test)
82.7SsetSpecMol-7B
Evaluation results
| Method | Links | ||
|---|---|---|---|
| SpecMol-7BModel Category=LLM-Based Model2025.09 | 82.7 | 91.5 | |
| MestReNovaModel Category=Specialized Tool2025.09 | 74.1 | 89.7 | |
| KIMI-K2Model Category=LLM-Based Model2025.09 | 73.8 | 88.2 | |
| GPT-5-miniModel Category=LLM-Based Model2025.09 | 72.8 | 87.5 | |
| DeepSeek-V3Model Category=LLM-Based Model2025.09 | 70.9 | 86.4 | |
| o3-miniModel Category=LLM-Based Model2025.09 | 65.8 | 81.5 | |
| Gemini-2.5-Flash-liteModel Category=LLM-Based Model2025.09 | 62.9 | 78.7 | |
| Qwen3-235BModel Category=LLM-Based Model2025.09 | 62.3 | 81.5 |