Text-guided molecule generation on S²-Bench
50.45MolCustom SRGPT-5 mini
Evaluation results
| Method | Links | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| GPT-5 miniApproach=Naive Gen2026.04 | 50.45 | 33.23 | 88.65 | 60.33 | 84.54 | 40.69 | 74.55 | 44.75 | — | — | — | — | — | — | |
| Mol-DebateApproach=Mol-Debate2026.04 | 39.65 | 26.71 | 93.99 | 64.32 | 92.03 | 60.52 | 75.22 | 50.52 | — | — | — | — | — | — | |
| Chem-R-8BApproach=CoT+FT+RL2026.04 | 21.07 | 14.19 | 79.55 | 54.29 | 85.61 | 57.89 | 62.08 | 42.13 | — | — | — | — | — | — | |
| Gemma-4-31b-itApproach=Naive Gen2026.04 | 18.76 | 12.17 | 72.91 | 50.03 | 69.33 | 51.56 | 53.66 | 37.92 | — | — | — | — | — | — | |
| GPT-4o miniApproach=Naive Gen2026.04 | 10.63 | 6.96 | 50.59 | 35.49 | 35.74 | 27.27 | 32.32 | 23.24 | — | — | — | — | — | — | |
| ChemDFM-R-14BApproach=PT+CoT+FT2026.04 | 10.01 | 6.62 | 48.45 | 33.17 | 26.58 | 18.49 | 28.35 | 19.43 | — | — | — | — | — | — | |
| ChemDFM-v1.5-8BApproach=PT+FT2026.04 | 8.35 | 5.6 | 34.01 | 25.71 | 38.76 | 29.34 | 27.04 | 20.22 | — | — | — | — | — | — | |
| Llama-3.1-8B-InstructApproach=Naive Gen2026.04 | 4.71 | 2.91 | 29.51 | 16.05 | 33.94 | 13.41 | 22.72 | 10.79 | — | — | — | — | — | — | |
| BioT5-baseApproach=PT+FT2026.04 | 2.24 | 1.58 | 19.38 | 3.06 | 50.95 | 7.99 | 24.19 | 4.21 | — | — | — | — | — | — | |
| MolT5-largeApproach=PT+FT2026.04 | 2.17 | 1.35 | 22.51 | 2.44 | 44.65 | 4.89 | 23.11 | 2.89 | — | — | — | — | — | — | |
| BioMatrix-1.7BMolecule Representation=SMILES2026.06 | — | — | — | — | — | — | — | — | 21.76 | 14.71 | 9.96 | 7.02 | 24.08 | 14.97 | |
| BioMatrix-1.7BMolecule Representation=SELFIES2026.06 | — | — | — | — | — | — | — | — | 6.8 | 4.92 | 2.74 | 1.78 | 0.98 | 0.62 | |
| BioMatrix-4BMolecule Representation=SMILES2026.06 | — | — | — | — | — | — | — | — | 27.74 | 18.99 | 11.04 | 7.95 | 27.14 | 17.03 | |
| BioMatrix-4BMolecule Representation=SELFIES2026.06 | — | — | — | — | — | — | — | — | 2.62 | 1.84 | 0.56 | 0.41 | 0.48 | 0.32 | |
| Claude-3.52026.06 | — | — | — | — | — | — | — | — | 19.28 | 13.35 | 10.58 | 6.97 | 23.64 | 15.56 | |
| Gemini-1.5-pro2026.06 | — | — | — | — | — | — | — | — | 17.42 | 12.02 | 7.08 | 4.62 | 24.86 | 16.59 | |
| GPT-4-turbo2026.06 | — | — | — | — | — | — | — | — | 17.02 | 11.9 | 7.74 | 4.88 | 21.8 | 14.4 | |
| GPT-4o2026.06 | — | — | — | — | — | — | — | — | 19.98 | 13.39 | 6.5 | 4.12 | 23.3 | 15.18 | |
| OpenMolIns-xlargeBackbone=Llama3.1-8B2026.06 | — | — | — | — | — | — | — | — | 11.86 | 8.11 | 11.96 | 8.07 | 35.48 | 22.68 |