Single-property molecular optimization on JNK3
98.9Success Rate (SR)DPO-LLM_Mistral
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| DPO-LLM_MistralBackbone=Mistral, Protocol=DPO2026.04 | 98.9 | 49 | 8.59 | |
| SFT-LLM_LLaMABackbone=LLaMA, Protocol=SFT2026.04 | 98.6 | 55 | 5.77 | |
| SFT-LLM_MistralBackbone=Mistral, Protocol=SFT2026.04 | 98.2 | 58 | 3.94 | |
| DPO-LLM_LLaMABackbone=LLaMA, Protocol=DPO2026.04 | 98.2 | 47 | 7.81 | |
| LLaMAshots=52026.04 | 69.6 | 15 | 11.5 | |
| LlaSmol_Mistral2026.04 | 64.4 | 35 | 0.5 | |
| Mistralshots=52026.04 | 49.6 | 67 | 1.58 | |
| GPT-4oshots=52026.04 | 46.8 | 64 | 0.98 | |
| Claude-3.5shots=52026.04 | 42.2 | 64 | 1.19 | |
| GPT-4oshots=02026.04 | 30.4 | 67 | 0.27 | |
| Claude-3.5shots=02026.04 | 26.4 | 70 | 0.18 | |
| Mistralshots=02026.04 | 23.8 | 64 | 0.27 | |
| ChemLLM2026.04 | 20.6 | 75 | 0.57 | |
| LLaMAshots=02026.04 | 19.6 | 68 | 0.26 |