| Generative Models for Automatic Chemical Design | Jul 2, 2019 | molecular representation | —Unverified | 0 |
| GenMol: A Drug Discovery Generalist with Discrete Diffusion | Jan 10, 2025 | Computational EfficiencyDrug Discovery | —Unverified | 0 |
| Geometry-aware Line Graph Transformer Pre-training for Molecular Property Prediction | Sep 1, 2023 | 3D geometryMolecular Property Prediction | —Unverified | 0 |
| GeoRecon: Graph-Level Representation Learning for 3D Molecules via Reconstruction-Based Pretraining | Jun 16, 2025 | DenoisingLanguage Modeling | —Unverified | 0 |
| Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations | Jun 2, 2023 | Contrastive LearningKnowledge Graphs | —Unverified | 0 |
| Graph Multi-Similarity Learning for Molecular Property Prediction | Jan 31, 2024 | AttributeContrastive Learning | —Unverified | 0 |
| 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 |
| HD-Bind: Encoding of Molecular Structure with Low Precision, Hyperdimensional Binary Representations | Mar 27, 2023 | Molecular DockingMolecular Property Prediction | —Unverified | 0 |
| HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction | Apr 16, 2024 | Graph Representation Learningmolecular representation | —Unverified | 0 |
| Hyperbolic Molecular Representation Learning for Drug Repositioning | Jul 6, 2022 | molecular representationRepresentation Learning | —Unverified | 0 |
