SMolInstruct
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Forward Synthesis | SMolInstruct | Exact Match78.7 | 23 | |
| Captioning | SMolInstruct | METEOR61.5 | 19 | |
| Property Prediction | SMolInstruct ClinTox | ClinTox Accuracy94.41 | 19 | |
| Property Prediction | SMolInstruct BBBP | BBBP Accuracy87.6 | 19 | |
| Property Prediction | SMolInstruct Lipo | Lipo RMSE0.612 | 19 | |
| Property Prediction | SMolInstruct ESOL | ESOL RMSE0.81 | 19 | |
| Name Conversion | SMolInstruct | I2S Valid Score99.82 | 15 | |
| Molecular Generation | SMolInstruct | RDK-FTS (%)70 | 14 | |
| Retrosynthesis | SMolInstruct | EM47 | 12 | |
| Text-based Molecule Generation | SMolInstruct | Exact Match (EM)65.07 | 12 | |
| Molecular Name Conversion (SMILES-to-IUPAC) | SMolInstruct | Exact Match56.63 | 12 | |
| Molecular Name Conversion (SMILES-to-Formula) | SMolInstruct | Exact Match100 | 12 | |
| Molecular Name Conversion (IUPAC-to-Formula) | SMolInstruct | Exact Match97.9 | 12 | |
| Molecule Captioning | SMolInstruct (test) | BLEU-40.582 | 12 | |
| Molecule Generation | SMolInstruct (test) | EXACT51.9 | 11 | |
| Retrosynthesis | SMolInstruct | Exact Match37.7 | 11 | |
| Scientific Reasoning | SmolInstruct | Score63.54 | 9 | |
| Retrosynthesis | SMolInstruct | RDK-FTS (%)63.7 | 7 | |
| Small Molecule | SmolInstruct | Score74.8 | 5 |
Showing 19 of 19 rows