Molecule-to-Text Retrieval on PubChem324k (test)
66.6AccuracyMolCA
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MolCARepresentation=2D Graph2023.10 | 66.6 | 94.6 | |
| MolCARepresentation Type=2D Graph2023.10 | 66.6 | 94.6 | |
| MolCA w/o MTMRepresentation=2D Graph2023.10 | 58.3 | 92.3 | |
| MolCA w/o MTMRepresentation Type=2D Graph2023.10 | 58.3 | 92.3 | |
| MoleculeSTMRepresentation=2D Graph2023.10 | 45.8 | 88.4 | |
| MoleculeSTMRepresentation Type=2D Graph2023.10 | 45.8 | 88.4 | |
| MoMu-KRepresentation=2D Graph, Training=PubChem324k pretrain subset2023.10 | 41.8 | 87.5 | |
| MoMu-KRepresentation Type=2D Graph2023.10 | 41.8 | 87.5 | |
| MoMu-SRepresentation=2D Graph, Training=PubChem324k pretrain subset2023.10 | 40.9 | 86.2 | |
| MoMu-SRepresentation Type=2D Graph2023.10 | 40.9 | 86.2 | |
| Sci-BERTRepresentation=1D SMILES2023.10 | 39.7 | 85.8 | |
| Sci-BERTRepresentation Type=1D SMILES2023.10 | 39.7 | 85.8 | |
| KV-PLMRepresentation=1D SMILES2023.10 | 38.8 | 86 | |
| KV-PLMRepresentation Type=1D SMILES2023.10 | 38.8 | 86 | |
| MoMu-S*Representation=2D Graph, Note=Released checkpoint2023.10 | 11.5 | 41.2 | |
| MoMu-S*Representation Type=2D Graph2023.10 | 11.5 | 41.2 | |
| MoMu-K*Representation=2D Graph, Note=Released checkpoint2023.10 | 11.3 | 41 | |
| MoMu-K*Representation Type=2D Graph2023.10 | 11.3 | 41 |