| Few-Shot Graph Learning for Molecular Property Prediction | Feb 16, 2021 | AttributeDrug Discovery | CodeCode Available | 1 |
| Molecular representation learning with language models and domain-relevant auxiliary tasks | Nov 26, 2020 | Drug Discoverymolecular representation | CodeCode Available | 1 |
| TrimNet: learning molecular representation from triplet messages for biomedicine | Nov 4, 2020 | Drug DiscoveryMolecular Property Prediction | CodeCode Available | 1 |
| ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction | Oct 19, 2020 | Molecular Property Predictionmolecular representation | CodeCode Available | 1 |
| Self-Supervised Graph Transformer on Large-Scale Molecular Data | Jun 18, 2020 | Drug DesignMolecular Property Prediction | CodeCode Available | 1 |
| MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction | Apr 23, 2020 | Drug Discoverymolecular representation | CodeCode Available | 1 |
| Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation | May 31, 2019 | molecular representationvalid | CodeCode Available | 1 |
| Molecular Machine Learning Using Euler Characteristic Transforms | Jul 4, 2025 | molecular representationRepresentation Learning | CodeCode Available | 0 |
| TRIDENT: Tri-Modal Molecular Representation Learning with Taxonomic Annotations and Local Correspondence | Jun 26, 2025 | Molecular Property Predictionmolecular representation | —Unverified | 0 |
| GeoRecon: Graph-Level Representation Learning for 3D Molecules via Reconstruction-Based Pretraining | Jun 16, 2025 | DenoisingLanguage Modeling | —Unverified | 0 |
