PubChem
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Text-to-Molecule Retrieval | PubChem324k (test) | Accuracy66 | 18 | |
| Molecule-to-Text Retrieval | PubChem324k (test) | Accuracy66.6 | 18 | |
| Column Type Annotation | Pubchem-15 | Micro-F163.3 | 9 | |
| Column Type Annotation | Pubchem-20+ | Micro F172 | 9 | |
| Molecule Captioning | PubChem324k (test) | BLEU-238.7 | 9 | |
| Energy prediction | PubChem | MAE (mHa)1.63 | 8 | |
| IUPAC name prediction | PubChem324k (test) | BLEU-275 | 5 | |
| CCSD solver convergence | PubChem (out-of-distribution) | Average Convergence Cycles6.3 | 2 | |
| Density matrix estimation | PubChem | Frobenius Norm Error0.36 | 2 |
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