Multi-property Molecular Optimization on BDP
84.07Success RateDPO-LLM
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| DPO-LLMBackbone=LLaMA, Protocol=DPO2026.04 | 84.07 | 47 | 6.67 | |
| DPO-LLMBackbone=Mistral, Protocol=DPO2026.04 | 81.93 | 50 | 5.15 | |
| SFT-LLMBackbone=Mistral, Protocol=SFT2026.04 | 81.6 | 56 | 3.87 | |
| SFT-LLMBackbone=LLaMA, Protocol=SFT2026.04 | 78.6 | 56 | 3.64 | |
| LlaSmolBackbone=Mistral2026.04 | 43.6 | 62 | 1.09 | |
| LLaMAshot_count=5-shot2026.04 | 35.4 | 57 | 2.71 | |
| Claude-3.5shot_count=5-shot2026.04 | 35.4 | 50 | 2.43 | |
| Mistralshot_count=5-shot2026.04 | 35.2 | 64 | 2.1 | |
| LLaMAshot_count=0-shot2026.04 | 22 | 73 | 0.74 | |
| Claude-3.5shot_count=0-shot2026.04 | 19.6 | 66 | 1.05 | |
| GPT-4oshot_count=1-shot2026.04 | 9.4 | 69 | 0.79 | |
| GPT-4oshot_count=0-shot2026.04 | 7.8 | 69 | 0.9 | |
| Mistralshot_count=0-shot2026.04 | 6.6 | 81 | 0.68 | |
| ChemLLM2026.04 | 0.2 | 17 | 1.2 |