Single-Property Molecular Optimization (plogP) on ZINC-250k 200 lead molecules
100Success Rate (SR)MolMem
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MolMemBackbone=Qwen2.5-1.5B, Optimization Paradigm=Expert2026.04 | 100 | 47 | 19.44 | |
| PEIT-LLMBackbone=Llama3.1-8B, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 81.5 | 49 | 15.41 | |
| Graph-GABackbone=N/A, Optimization Paradigm=Novice2026.04 | 61.5 | 49 | 9.64 | |
| ChemLLMBackbone=ChemLLM-7B, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 61.5 | 64 | 19.86 | |
| GeLLM3OBackbone=Llama3.1-8B, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 57 | 52 | 12.8 | |
| Direct RetrievalBackbone=N/A, Optimization Paradigm=Apprentice, Method Category=Retrieval-based2026.04 | 53.5 | 43 | 13.13 | |
| Direct PromptBackbone=Qwen2.5-3B, Optimization Paradigm=Apprentice, Method Category=Prompting & SFT2026.04 | 52.5 | 63 | 14.65 | |
| Reinvent 4Backbone=Transformer, Optimization Paradigm=Novice2026.04 | 51.5 | 48 | 10.37 | |
| Direct PromptBackbone=Qwen2.5-1.5B, Optimization Paradigm=Apprentice, Method Category=Prompting & SFT2026.04 | 38 | 65 | 12.48 | |
| LlaSMolBackbone=Mistral-7B, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 32.5 | 49 | 9.98 | |
| SFT-onlyBackbone=Qwen2.5-1.5B, Optimization Paradigm=Apprentice, Method Category=Prompting & SFT2026.04 | 24.5 | 64 | 9.09 | |
| SFT-onlyBackbone=Qwen2.5-3B, Optimization Paradigm=Apprentice, Method Category=Prompting & SFT2026.04 | 23.5 | 63 | 9.67 | |
| MOLLEOBackbone=BioT5, Optimization Paradigm=Apprentice, Method Category=Task-Specific LLM2026.04 | 12.5 | 70 | 3.37 | |
| QMOBackbone=GRU, Optimization Paradigm=Novice2026.04 | 8 | 55 | 5.87 |