| 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 | 0 |
| HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations | Mar 27, 2023 | Molecular DockingMolecular Property Prediction | —Unverified | 0 | 0 |
| HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction | Apr 16, 2024 | Graph Representation Learningmolecular representation | —Unverified | 0 | 0 |
| Hyperbolic Molecular Representation Learning for Drug Repositioning | Jul 6, 2022 | molecular representationRepresentation Learning | —Unverified | 0 | 0 |
| Image-Like Graph Representations for Improved Molecular Property Prediction | Nov 20, 2021 | Graph Neural NetworkMolecular Property Prediction | —Unverified | 0 | 0 |
| Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model | Jun 28, 2024 | molecular representationProperty Prediction | —Unverified | 0 | 0 |
| Integrating Chemical Language and Molecular Graph in Multimodal Fused Deep Learning for Drug Property Prediction | Dec 29, 2023 | Deep LearningDrug Discovery | —Unverified | 0 | 0 |
| Knowledge-aware contrastive heterogeneous molecular graph learning | Feb 17, 2025 | BenchmarkingContrastive Learning | —Unverified | 0 | 0 |
| Knowledge-aware Contrastive Molecular Graph Learning | Mar 24, 2021 | Contrastive LearningDrug Discovery | —Unverified | 0 | 0 |
| Knowledge graph-enhanced molecular contrastive learning with functional prompt | May 4, 2023 | Contrastive LearningDrug Design | —Unverified | 0 | 0 |
