Single-property molecular optimization on BBBP
99.73Success Rate (SR)SFT-LLM_LLaMA
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| SFT-LLM_LLaMABackbone=LLaMA, Protocol=SFT2026.04 | 99.73 | 58 | 1.76 | |
| SFT-LLM_MistralBackbone=Mistral, Protocol=SFT2026.04 | 99.55 | 56 | 1.76 | |
| DPO-LLM_MistralBackbone=Mistral, Protocol=DPO2026.04 | 99.53 | 52 | 1.97 | |
| DPO-LLM_LLaMABackbone=LLaMA, Protocol=DPO2026.04 | 99.53 | 51 | 1.99 | |
| LlaSmol_Mistral2026.04 | 79.6 | 25 | 1.53 | |
| LLaMAshots=52026.04 | 78.8 | 23 | 1.57 | |
| Mistralshots=52026.04 | 70.6 | 67 | 0.93 | |
| GPT-4oshots=52026.04 | 64.8 | 64 | 0.8 | |
| GPT-4oshots=02026.04 | 56 | 70 | 0.66 | |
| Claude-3.5shots=52026.04 | 47.4 | 72 | 0.62 | |
| ChemLLM2026.04 | 33 | 79 | 0.46 | |
| Mistralshots=02026.04 | 30.4 | 72 | 0.51 | |
| LLaMAshots=02026.04 | 30.2 | 81 | 0.45 | |
| Claude-3.5shots=02026.04 | 17.6 | 72 | 0.58 |