| GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules | Jan 12, 2022 | Graph Representation Learningmolecular representation | —Unverified | 0 |
| Molecular Contrastive Learning with Chemical Element Knowledge Graph | Dec 1, 2021 | Contrastive LearningDrug Design | CodeCode Available | 1 |
| Deep Molecular Representation Learning via Fusing Physical and Chemical Information | Nov 28, 2021 | molecular representationRepresentation Learning | —Unverified | 0 |
| Image-Like Graph Representations for Improved Molecular Property Prediction | Nov 20, 2021 | Graph Neural NetworkMolecular Property Prediction | —Unverified | 0 |
| SSI–DDI: Substructure–Substructure Interactions for Drug–Drug Interaction Prediction | Nov 7, 2021 | Drug–drug Interaction Extractionmolecular representation | CodeCode Available | 1 |
| GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction | Sep 24, 2021 | Contrastive LearningData Augmentation | CodeCode Available | 1 |
| Multilingual Molecular Representation Learning via Contrastive Pre-training | Sep 18, 2021 | Contrastive LearningLanguage Modeling | —Unverified | 0 |
| C5T5: Controllable Generation of Organic Molecules with Transformers | Aug 23, 2021 | Drug Discoverymolecular representation | CodeCode Available | 1 |
| Learning Attributed Graph Representations with Communicative Message Passing Transformer | Jul 19, 2021 | Inductive Biasmolecular representation | CodeCode Available | 1 |
| GeoT: A Geometry-aware Transformer for Reliable Molecular Property Prediction and Chemically Interpretable Representation Learning | Jun 29, 2021 | Molecular Property Predictionmolecular representation | CodeCode Available | 0 |
