Multi-property Molecular Optimization on DPQ
70.13Success Rate (SR)DPO-LLM
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| DPO-LLMBackbone=Mistral, Protocol=DPO2026.04 | 70.13 | 44 | 4.3 | |
| DPO-LLMBackbone=LLaMA, Protocol=DPO2026.04 | 68.33 | 46 | 3.39 | |
| SFT-LLMBackbone=Mistral, Protocol=SFT2026.04 | 62.85 | 51 | 2.42 | |
| SFT-LLMBackbone=LLaMA, Protocol=SFT2026.04 | 57.6 | 51 | 2.12 | |
| Claude-3.5shot_count=5-shot2026.04 | 29.2 | 37 | 2.87 | |
| LlaSmolBackbone=Mistral2026.04 | 24 | 57 | 0.61 | |
| Claude-3.5shot_count=0-shot2026.04 | 11 | 54 | 0.51 | |
| Mistralshot_count=5-shot2026.04 | 10.4 | 54 | 1.1 | |
| LLaMAshot_count=5-shot2026.04 | 8.2 | 44 | 3.02 | |
| GPT-4oshot_count=1-shot2026.04 | 7 | 62 | 0.44 | |
| GPT-4oshot_count=0-shot2026.04 | 2.8 | 57 | 0.5 | |
| LLaMAshot_count=0-shot2026.04 | 2.6 | 62 | 0.32 | |
| Mistralshot_count=0-shot2026.04 | 2.2 | 65 | 0.41 | |
| ChemLLM2026.04 | 0.6 | 28 | 0.42 |