Single-Property Molecular Optimization (DRD2) on ZINC-250k 200 lead molecules
96Success Rate (SR)MolMem
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MolMemBackbone=Qwen2.5-1.5B, Optimization Paradigm=Expert2026.04 | 96 | 49 | 16.96 | |
| PEIT-LLMBackbone=Llama3.1-8B, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 50.5 | 50 | 11.86 | |
| GeLLM3OBackbone=Llama3.1-8B, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 49 | 56 | 11.16 | |
| ChemLLMBackbone=ChemLLM-7B, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 46 | 64 | 11.71 | |
| Reinvent 4Backbone=Transformer, Optimization Paradigm=Novice2026.04 | 34.5 | 50 | 8.71 | |
| Graph-GABackbone=N/A, Optimization Paradigm=Novice2026.04 | 34 | 56 | 5.13 | |
| Direct RetrievalBackbone=N/A, Optimization Paradigm=Apprentice, Method Category=Retrieval-based2026.04 | 28.5 | 43 | 8.1 | |
| Direct PromptBackbone=Qwen2.5-3B, Optimization Paradigm=Apprentice, Method Category=Prompting & SFT2026.04 | 25.5 | 68 | 8.14 | |
| SFT-onlyBackbone=Qwen2.5-3B, Optimization Paradigm=Apprentice, Method Category=Prompting & SFT2026.04 | 23 | 64 | 6.7 | |
| SFT-onlyBackbone=Qwen2.5-1.5B, Optimization Paradigm=Apprentice, Method Category=Prompting & SFT2026.04 | 20 | 62 | 7.04 | |
| LlaSMolBackbone=Mistral-7B, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 15.5 | 47 | 5.94 | |
| Direct PromptBackbone=Qwen2.5-1.5B, Optimization Paradigm=Apprentice, Method Category=Prompting & SFT2026.04 | 13.5 | 64 | 4.92 | |
| QMOBackbone=GRU, Optimization Paradigm=Novice2026.04 | 9.5 | 51 | 3.91 | |
| MOLLEOBackbone=BioT5, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 4 | 78 | 0.63 |