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| SubGDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning | May 9, 2024 | DenoisingDrug Discovery | CodeCode Available | 1 |
| Atomas: Hierarchical Alignment on Molecule-Text for Unified Molecule Understanding and Generation | Apr 23, 2024 | Drug Discoverymolecular representation | CodeCode Available | 1 |
| UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment | Mar 25, 2024 | Graph-to-Sequencemolecular representation | CodeCode Available | 1 |
| Hierarchical Structure Enhances the Convergence and Generalizability of Linear Molecular Representation | Feb 3, 2024 | molecular representation | CodeCode Available | 1 |
| MolTailor: Tailoring Chemical Molecular Representation to Specific Tasks via Text Prompts | Jan 21, 2024 | Drug DiscoveryLanguage Modeling | CodeCode Available | 1 |
| Can Large Language Models Understand Molecules? | Jan 5, 2024 | Drug DiscoveryLanguage Modelling | CodeCode Available | 1 |
| MolSets: Molecular Graph Deep Sets Learning for Mixture Property Modeling | Dec 27, 2023 | Graph Neural Networkmixture property prediction | CodeCode Available | 1 |
| Predictive Chemistry Augmented with Text Retrieval | Dec 8, 2023 | molecular representationRetrieval | CodeCode Available | 1 |
| Improving Self-supervised Molecular Representation Learning using Persistent Homology | Nov 29, 2023 | Molecular Property Predictionmolecular representation | CodeCode Available | 1 |
