Retrosynthesis on Mol-Instructions
64.2Exact MatchBioT5+
Evaluation results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| BioT5+variant=Reg. & React.2025.02 | 64.2 | — | — | — | 0.93 | — | — | — | |
| Mol-LLMwith_graph=true2025.02 | 53.8 | — | — | — | 0.893 | — | — | — | |
| Mol-LLM2026.04 | 51.2 | — | — | — | 0.887 | — | — | — | |
| Mol-LLMwith_graph=false2025.02 | 51 | — | — | — | 0.886 | — | — | — | |
| LlaSMol2025.02 | 45.3 | — | — | — | 0.885 | — | — | — | |
| InstructMol2025.02 | 40.7 | — | — | — | 0.852 | — | — | — | |
| MolDAdenoising steps (T)=642026.04 | 23.6 | — | — | — | 0.791 | — | — | — | |
| ChemDFM2026.04 | 8 | — | — | — | 0.769 | — | — | — | |
| Mol-Instructions2025.02 | 6.9 | — | — | — | 0.359 | — | — | — | |
| LlaSMol2026.04 | 2.6 | — | — | — | 0.65 | — | — | — | |
| GPT-4shots=5-shot2025.02 | 1.2 | — | — | — | 0.716 | — | — | — | |
| BioT5+2024.02 | 0.642 | 0.969 | 6.71 | 0.897 | 0.93 | 0.866 | 100 | — | |
| InstructMol-GS-6.9B2024.02 | 0.407 | 0.941 | 13.967 | 0.753 | 0.852 | 0.714 | 100 | — | |
| Text+Chem T5-223M2024.02 | 0.141 | 0.765 | 24.043 | 0.685 | 0.765 | 0.585 | 69.8 | — | |
| InstructMol-G-6.9B2024.02 | 0.114 | 0.586 | 21.271 | 0.422 | 0.523 | 0.285 | 100 | — | |
| BioT5+variant=Cls. & Trans.2025.02 | 0.1 | — | — | — | 0.195 | — | — | — | |
| Mol-Instructions-7B2024.02 | 0.009 | 0.705 | 31.227 | 0.283 | 0.487 | 0.23 | 100 | — | |
| Alpaca-7B2024.02 | 0 | 0.063 | 46.915 | 0.005 | 0.023 | 0.007 | 16 | — | |
| Baize-7B2024.02 | 0 | 0.095 | 44.714 | 0.025 | 0.05 | 0.023 | 11.2 | — | |
| ChatGLM-6B2024.02 | 0 | 0.117 | 48.365 | 0.056 | 0.075 | 0.043 | 4.6 | — | |
| Llama-7B2024.02 | 0 | 0.036 | 46.844 | 0.018 | 0.029 | 0.017 | 1 | — | |
| Vicuna-7B2024.02 | 0 | 0.057 | 46.877 | 0.025 | 0.03 | 0.021 | 1.7 | — | |
| Galactica-6.7B2024.02 | 0 | 0.452 | 34.94 | 0.167 | 0.274 | 0.134 | 98.6 | — | |
| Llama-7BLoRA tuning=true2024.02 | 0 | 0.283 | 53.51 | 0.136 | 0.294 | 0.106 | 100 | — | |
| MolCA2025.02 | 0 | — | — | — | 0.88 | — | — | — | |
| Galactica2025.02 | 0 | — | — | — | 0.274 | — | — | — | |
| 3D-MOLM2025.02 | 0 | — | — | — | 0.451 | — | — | — | |
| ChemDFM2025.02 | 0 | — | — | — | 0.44 | — | — | — | |
| Galactica2026.04 | 0 | — | — | — | 0.283 | — | — | — | |
| 3D-MoLM2026.04 | 0 | — | — | — | 0.81 | — | — | — | |
| Alpaca-7B2026.02 | — | — | — | — | — | — | 16 | 0.005 | |
| Baize-7B2026.02 | — | — | — | — | — | — | 11.2 | 0.025 | |
| ChatGLM-6B2026.02 | — | — | — | — | — | — | 4.6 | 0.056 | |
| COLMSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 23.39 | — | — | — | — | — | |
| COLMSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 23.8 | — | — | — | — | — | |
| Cuttlefish2026.02 | — | — | — | — | — | — | 100 | 0.747 | |
| Galactica-6.7B2026.02 | — | — | — | — | — | — | 98.4 | 0.167 | |
| GradNormSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.74 | 28.33 | — | — | — | — | — | |
| GradNormSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.78 | 26.92 | — | — | — | — | — | |
| GREATSSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 24.01 | — | — | — | — | — | |
| GREATSSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 24.48 | — | — | — | — | — | |
| IDSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 24.67 | — | — | — | — | — | |
| IDSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 24.1 | — | — | — | — | — | |
| IWDSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 24.39 | — | — | — | — | — | |
| IWDSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 23.76 | — | — | — | — | — | |
| Llama-3-8B2026.02 | — | — | — | — | — | — | 1 | 0.018 | |
| Mol-Ins.-Llama-22026.02 | — | — | — | — | — | — | 100 | 0.283 | |
| Mol-Ins.-Llama-3.12026.02 | — | — | — | — | — | — | 100 | 0.704 | |
| Mol-LLama-22026.02 | — | — | — | — | — | — | 100 | 0.362 | |
| Mol-LLama-3.12026.02 | — | — | — | — | — | — | 100 | 0.708 | |
| PartitionSelSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.82 | 23.44 | — | — | — | — | — | |
| PartitionSelSubset-fraction=25%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.82 | 23.7 | — | — | — | — | — | |
| Qwen-2.5-7B2026.02 | — | — | — | — | — | — | 93.9 | 0.168 | |
| RandomSubset-fraction=12.5%, Backbone=Qwen2.5-3B, Batch size |St|=1282026.06 | — | 0.81 | 23.83 | — | — | — | — | — | |
| Vicuna-v1.5-13B2026.02 | — | — | — | — | — | — | 1.7 | 0.025 |