Mol-Instructions
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Retrosynthesis | Mol-Instructions | Exact Match64.2 | 24 | |
| Forward Reaction Prediction | Mol-Instructions | Exact Match91.1 | 24 | |
| Reagent Prediction | Mol-Instructions | Exact Match25.7 | 24 | |
| Molecule Captioning | Mol-Instructions | ROUGE-L0.766 | 17 | |
| Forward reaction prediction | Mol-Instructions (test) | EM Score0.945 | 15 | |
| Interaction Extraction | Mol-Instructions | F1 Score27 | 13 | |
| Entity Recognition | Mol-Instructions | F1 Score78 | 13 | |
| Multi-Choice | Mol-Instructions | Accuracy96 | 13 | |
| True-or-False | Mol-Instructions | Accuracy66 | 13 | |
| OpenQA | Mol-Instructions | BERTScore0.884 | 13 | |
| Molecular Design | Mol-Instructions | Validity100 | 13 | |
| Domain or Motif Prediction | Mol-Instructions Protein-oriented | ROUGE-L0.495 | 11 | |
| Catalytic Activity Prediction | Mol-Instructions Protein-oriented | ROUGE-L55.1 | 11 | |
| Functional Description Prediction | Mol-Instructions Protein-oriented | ROUGE-L0.52 | 11 | |
| Protein Function Prediction | Mol-Instructions Protein-oriented | ROUGE-L48.6 | 11 | |
| Interaction Extraction | Mol-Instructions Protein-oriented | F1 Score0.273 | 11 | |
| Molecule Captioning | Mol-Instructions (test) | BLEU0.143 | 10 | |
| Molecule Description Generation | Mol-Instructions 1.0 (test) | BLEU-20.549 | 10 | |
| Description-guided molecule design | Mol-Instructions | Exact Match11.2 | 10 | |
| Retrosynthesis | Mol-Instructions (test) | EM Score0.757 | 8 | |
| Molecular Science Instructions | Mol-Instructions Synthetic NIID 1.0 (test) | BertScore0.824 | 7 | |
| Molecular Science Instructions | Mol-Instructions Synthetic IID 1.0 (test) | BertScore0.819 | 7 |
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