Single-property molecular optimization on GSK3β
98.8Success Rate (SR)SFT-LLM_Mistral
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| SFT-LLM_MistralBackbone=Mistral, Protocol=SFT2026.04 | 98.8 | 59 | 10.26 | |
| SFT-LLM_LLaMABackbone=LLaMA, Protocol=SFT2026.04 | 98.6 | 51 | 12.79 | |
| DPO-LLM_MistralBackbone=Mistral, Protocol=DPO2026.04 | 98.25 | 52 | 17.12 | |
| DPO-LLM_LLaMABackbone=LLaMA, Protocol=DPO2026.04 | 98 | 49 | 20.01 | |
| LLaMAshots=52026.04 | 74 | 16 | 11.02 | |
| LlaSmol_Mistral2026.04 | 69.6 | 33 | 1.61 | |
| GPT-4oshots=52026.04 | 51 | 61 | 2.47 | |
| Mistralshots=52026.04 | 50.6 | 69 | 1.4 | |
| Claude-3.5shots=52026.04 | 50.4 | 65 | 2 | |
| GPT-4oshots=02026.04 | 41.8 | 68 | 0.91 | |
| Mistralshots=02026.04 | 29 | 67 | 0.71 | |
| Claude-3.5shots=02026.04 | 27.2 | 69 | 0.77 | |
| LLaMAshots=02026.04 | 24.6 | 70 | 0.72 | |
| ChemLLM2026.04 | 20 | 77 | 0.88 |