| Synergistic Fusion of Graph and Transformer Features for Enhanced Molecular Property Prediction | Aug 25, 2023 | Drug DiscoveryMolecular Property Prediction | —Unverified | 0 | 0 |
| Technical report: Improving the properties of molecules generated by LIMO | Jul 20, 2024 | Decodermolecular representation | —Unverified | 0 | 0 |
| GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks | Nov 28, 2023 | Drug Designmolecular representation | —Unverified | 0 | 0 |
| Tokenizing 3D Molecule Structure with Quantized Spherical Coordinates | Dec 2, 2024 | molecular representationProperty Prediction | —Unverified | 0 | 0 |
| Towards Interpretable Sparse Graph Representation Learning with Laplacian Pooling | May 28, 2019 | Drug DesignDrug Discovery | —Unverified | 0 | 0 |
| TRIDENT: Tri-Modal Molecular Representation Learning with Taxonomic Annotations and Local Correspondence | Jun 26, 2025 | Molecular Property Predictionmolecular representation | —Unverified | 0 | 0 |
| UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning | May 15, 2024 | Contrastive LearningDenoising | —Unverified | 0 | 0 |
| Multimodal Molecular Pretraining via Modality Blending | Jul 12, 2023 | Drug Discoverymolecular representation | —Unverified | 0 | 0 |
