Text-to-Molecule Retrieval on PubChem324k (test)
66AccuracyMolCA
Evaluation results
| Method | Links | ||
|---|---|---|---|
| MolCARepresentation=2D Graph2023.10 | 66 | 93.5 | |
| MolCARepresentation Type=2D Graph2023.10 | 66 | 93.5 | |
| MolCA w/o MTMRepresentation=2D Graph2023.10 | 56 | 90.6 | |
| MolCA w/o MTMRepresentation Type=2D Graph2023.10 | 56 | 90.6 | |
| MoleculeSTMRepresentation=2D Graph2023.10 | 44.3 | 90.3 | |
| MoleculeSTMRepresentation Type=2D Graph2023.10 | 44.3 | 90.3 | |
| MoMu-KRepresentation=2D Graph, Training=PubChem324k pretrain subset2023.10 | 41.6 | 87.8 | |
| MoMu-KRepresentation Type=2D Graph2023.10 | 41.6 | 87.8 | |
| MoMu-SRepresentation=2D Graph, Training=PubChem324k pretrain subset2023.10 | 40.8 | 86.1 | |
| MoMu-SRepresentation Type=2D Graph2023.10 | 40.8 | 86.1 | |
| KV-PLMRepresentation=1D SMILES2023.10 | 37.7 | 85.5 | |
| KV-PLMRepresentation Type=1D SMILES2023.10 | 37.7 | 85.5 | |
| Sci-BERTRepresentation=1D SMILES2023.10 | 37.5 | 85.2 | |
| Sci-BERTRepresentation Type=1D SMILES2023.10 | 37.5 | 85.2 | |
| MoMu-S*Representation=2D Graph, Note=Released checkpoint2023.10 | 12.6 | 43.6 | |
| MoMu-S*Representation Type=2D Graph2023.10 | 12.6 | 43.6 | |
| MoMu-K*Representation=2D Graph, Note=Released checkpoint2023.10 | 12.4 | 39.9 | |
| MoMu-K*Representation Type=2D Graph2023.10 | 12.4 | 39.9 |