Single-property molecular optimization on QED
100Success Rate (SR)SFT-LLM_Mistral
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| SFT-LLM_MistralBackbone=Mistral, Protocol=SFT2026.04 | 100 | 57 | 0.81 | |
| SFT-LLM_LLaMABackbone=LLaMA, Protocol=SFT2026.04 | 99.8 | 57 | 0.86 | |
| DPO-LLM_LLaMABackbone=LLaMA, Protocol=DPO2026.04 | 99.8 | 54 | 0.98 | |
| DPO-LLM_MistralBackbone=Mistral, Protocol=DPO2026.04 | 99.53 | 53 | 0.92 | |
| LLaMAshots=52026.04 | 71.6 | 15 | 1.12 | |
| GPT-4oshots=52026.04 | 59.6 | 67 | 0.31 | |
| Mistralshots=52026.04 | 50 | 68 | 0.27 | |
| Claude-3.5shots=52026.04 | 45.8 | 71 | 0.31 | |
| LlaSmol_Mistral2026.04 | 41.6 | 30 | 0.49 | |
| GPT-4oshots=02026.04 | 38.4 | 75 | 0.24 | |
| Claude-3.5shots=02026.04 | 19.4 | 71 | 0.21 | |
| LLaMAshots=02026.04 | 18 | 75 | 0.19 | |
| Mistralshots=02026.04 | 12.8 | 67 | 0.21 | |
| ChemLLM2026.04 | 7.4 | 77 | 0.2 |