Caption-to-molecule generation on ChEBI-20
59.82Exact MatchMol-Debate
Evaluation results
| Method | Links | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mol-DebateApproach=Mol-Debate2026.04 | 59.82 | 70.59 | 30.8294 | 96.01 | 91.03 | 86.94 | 0.1258 | 99.73 | — | — | — | |
| ChemDFM-v1.5-8BApproach=PT+FT2026.04 | 53.79 | 60.86 | 41.1333 | 93.88 | 87.98 | 83.14 | 0.1957 | 97.7 | — | — | — | |
| MolReFlectfine-tuned=true2024.11 | 51 | 90.3 | 11.84 | — | — | — | — | 97.7 | 92.9 | 86 | 81.3 | |
| ChemDFM-R-14BApproach=PT+CoT+FT2026.04 | 49.48 | 67.33 | 33.9506 | 93.13 | 85.92 | 80.92 | 0.2236 | 97.33 | — | — | — | |
| ICMAfine-tuned=true2024.11 | 46 | 85.5 | 18.73 | — | — | — | — | 95.8 | 91.6 | 83.7 | 78.9 | |
| Chem-R-8BApproach=CoT+FT+RL2026.04 | 43.85 | 86.48 | 16.183 | 92.04 | 83.98 | 78.27 | 0.2747 | 96.64 | — | — | — | |
| MSRApproach=CoT+FT2026.04 | 42.1 | 87.8 | 12.76 | 92.4 | 85.6 | 80.4 | 0.26 | 98.2 | — | — | — | |
| BioT5-baseApproach=PT+FT2026.04 | 41.3 | 86.7 | 15.097 | 88.6 | 80.1 | 73.4 | 0.43 | 100 | — | — | — | |
| BioT5fine-tuned=true2024.11 | 41.3 | 86.7 | 15.1 | — | — | — | — | 100 | 88.6 | 80.1 | 73.4 | |
| MolT5-largeApproach=PT+FT2026.04 | 31.1 | 85.4 | 16.071 | 83.4 | 74.6 | 68.4 | 1.2 | 90.5 | — | — | — | |
| MolT5-largefine-tuned=true2024.11 | 31.1 | 85.4 | 16.07 | — | — | — | — | 90.5 | 83.4 | 74.6 | 68.4 | |
| MolReGPTApproach=RAG2026.04 | 28 | 85.7 | 17.14 | 90.3 | 80.5 | 73.9 | 0.59 | 89.9 | — | — | — | |
| MolReGPTfine-tuned=false2024.11 | 28 | 85.7 | 17.14 | — | — | — | — | 89.9 | 90.3 | 80.5 | 73.9 | |
| Mol-R1Approach=CoT+Distill+RL2026.04 | 23.4 | 64.1 | 32.94 | 82.3 | 68.4 | 61.2 | — | 84.7 | — | — | — | |
| GPT-5 miniApproach=Naive Gen2026.04 | 17.73 | 40.46 | 47.1945 | 88.29 | 72.8 | 65.75 | 1.2423 | 79.42 | — | — | — | |
| Gemma-4-31b-itApproach=Naive Gen2026.04 | 4.52 | 37.86 | 49.8358 | 70.67 | 49.32 | 41.69 | 3.808 | 70.61 | — | — | — | |
| Mol-InstructionApproach=FT2026.04 | 4 | 30 | 39.42 | 44 | 29 | 25 | — | 100 | — | — | — | |
| GPT-4o miniApproach=Naive Gen2026.04 | 1.73 | 19.47 | 63.2667 | 59.88 | 36.29 | 30.27 | 8.6415 | 51.48 | — | — | — | |
| Llama-3.1-8B-InstructApproach=Naive Gen2026.04 | 0.45 | 18.73 | 73.8242 | 58.38 | 34.89 | 26.44 | 6.9835 | 41.67 | — | — | — |