Molecule Generation on Isocyanates
1,000Sample EfficiencyAWRS
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| AWRSBackbone=Llama-8B2025.10 | 1,000 | — | — | — | — | |
| MCMCBackbone=Llama-8B2025.10 | 1,000 | — | — | — | — | |
| AWRSBackbone=Qwen-7B2025.10 | 1,000 | — | — | — | — | |
| MCMCBackbone=Qwen-7B2025.10 | 1,000 | — | — | — | — | |
| AWRSBackbone=Qwen-14B2025.10 | 1,000 | — | — | — | — | |
| MCMCBackbone=Qwen-14B2025.10 | 1,000 | — | — | — | — | |
| RSFTBackbone=Llama-8B2025.10 | 154 | — | — | — | — | |
| RSBackbone=Llama-8B2025.10 | 139 | — | — | — | — | |
| ARSBackbone=Llama-8B2025.10 | 132 | — | — | — | — | |
| CARSBackbone=Llama-8B2025.10 | 132 | — | — | — | — | |
| RSBackbone=Qwen-14B2025.10 | 117 | — | — | — | — | |
| ARSBackbone=Qwen-7B2025.10 | 116 | — | — | — | — | |
| RSBackbone=Qwen-7B2025.10 | 115 | — | — | — | — | |
| CARSBackbone=Qwen-7B2025.10 | 115 | — | — | — | — | |
| ARSBackbone=Qwen-14B2025.10 | 113 | — | — | — | — | |
| RSFTBackbone=Qwen-7B2025.10 | 110 | — | — | — | — | |
| RSFTBackbone=Qwen-14B2025.10 | 108 | — | — | — | — | |
| CARSBackbone=Qwen-14B2025.10 | 106 | — | — | — | — | |
| GCDBackbone=Llama-8B2025.10 | 100 | — | — | — | — | |
| GCDBackbone=Qwen-7B2025.10 | 100 | — | — | — | — | |
| GCDBackbone=Qwen-14B2025.10 | 100 | — | — | — | — | |
| Grammar PromptingBase LLM=GPT-3.5, Few-shot setting=true2023.05 | — | 97.7 | 0.79 | 78 | 96.3 | |
| Graph GrammarFew-shot setting=true2023.05 | — | 100 | 0.93 | 52.2 | 82.7 | |
| Standard PromptingBase LLM=GPT-3.5, Few-shot setting=true2023.05 | — | 94.7 | 0.82 | 78 | 92.2 |