Molecule Generation on ChEBI-20 (test)
55.7Exact MatchBioT5+*
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| BioT5+*Model category=Semi-Generalist Models, Task objective=Cls. & Trans.2025.02 | 55.7 | 90.7 | 100 | — | — | |
| BioT5+*Model category=Semi-Generalist Models, Task objective=Reg. & React.2025.02 | 53.7 | 89.7 | 100 | — | — | |
| Mol-LLMModel category=Generalist Models, Graph input configuration=Full model2025.02 | 44.3 | 90.6 | 100 | — | — | |
| Mol-LLMModel category=Generalist Models, Graph input configuration=w/o Graph2025.02 | 43.1 | 90.3 | 100 | — | — | |
| Text+Chem T5Model category=Specialist Models2025.02 | 32.2 | 90.1 | 94 | — | — | |
| MolT5Model category=Specialist Models2025.02 | 31.1 | 83.4 | 91 | — | — | |
| LlaSMol*Model category=Generalist Models2025.02 | 27.4 | 87.1 | 95 | — | — | |
| BiMol-DiffInput format=Graph, Type=Diff, Parameters=180M2026.04 | 26.2 | 89.4 | 90.1 | 79.1 | 76.2 | |
| T5 Enc + MolXPT MLPInput format=SMILES, Type=Adapter, Parameters=111M2026.04 | 22.7 | 82 | 98 | 71.3 | 63.6 | |
| UTGDiff (w/o pretrain)Input format=Graph, Type=Diff, Parameters=125M2026.04 | 22.7 | 86.7 | 85.6 | 76.3 | 69.5 | |
| MolXPTModel category=Specialist Models2025.02 | 21.5 | 85.9 | 98 | — | — | |
| MolXPTInput format=SMILES, Type=AR, Parameters=350M2026.04 | 21.5 | 85.9 | 98.3 | 75.7 | 66.7 | |
| T5 Enc + MolGenInput format=SELFIES, Type=Adapter, Parameters=317M2026.04 | 16.5 | 75.8 | 99.5 | 61.6 | 52.7 | |
| GPT-4Model category=Generalist Models, Protocol=5-shot2025.02 | 9.2 | 74.5 | 65 | — | — | |
| Galactica-1.3B + MolGenInput format=SELFIES, Type=Adapter, Parameters=1.5B2026.04 | 9.1 | 70.6 | 99.5 | 56 | 45.4 | |
| SciBERT + MolGenInput format=SELFIES, Type=Adapter, Parameters=317M2026.04 | 8.3 | 68 | 99.5 | 52.6 | 42.2 | |
| MolT5-BaseInput format=SMILES, Type=AR, Parameters=248M2026.04 | 8.1 | 72.1 | 77.2 | 58.8 | 52.9 | |
| T5-BaseInput format=SMILES, Type=AR, Parameters=248M2026.04 | 6.9 | 73.1 | 66 | 60.5 | 54.5 | |
| GIT-MolModel category=Specialist Models2025.02 | 5.1 | 73.8 | 93 | — | — | |
| ChemDFM*Model category=Generalist Models2025.02 | 1.8 | 16.5 | 19 | — | — | |
| Mol-InstructionsModel category=Semi-Generalist Models2025.02 | 1.6 | 16.7 | 100 | — | — | |
| DiGress (sim. guidance)Input format=Graph, Type=Diff, Parameters=289M2026.04 | 1.4 | 57.7 | 85.4 | 38.9 | 28.8 | |
| 3M-DiffusionInput format=Graph, Type=Diff, Parameters=162M2026.04 | 0.5 | 54.8 | 100 | 37 | 27.3 | |
| Galactica*Model category=Generalist Models2025.02 | 0 | 26.4 | 70 | — | — | |
| 3D-MOLM*Model category=Generalist Models2025.02 | 0 | 0 | 0 | — | — | |
| Graph-DiTInput format=Graph, Type=Diff, Parameters=162M2026.04 | 0 | 37.4 | 90.9 | 26.9 | 15.9 |