| MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis | Jun 13, 2024 | Drug DiscoveryMolecular Property Prediction | CodeCode Available | 0 |
| Adapting Differential Molecular Representation with Hierarchical Prompts for Multi-label Property Prediction | May 29, 2024 | Drug Discoverymolecular representation | CodeCode Available | 0 |
| SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learning | May 26, 2024 | Computational chemistrymolecular representation | CodeCode Available | 0 |
| Explainable Molecular Property Prediction: Aligning Chemical Concepts with Predictions via Language Models | May 25, 2024 | Drug DiscoveryMolecular Property Prediction | —Unverified | 0 |
| UniCorn: A Unified Contrastive Learning Approach for Multi-view Molecular Representation Learning | May 15, 2024 | Contrastive LearningDenoising | —Unverified | 0 |
| DrugLLM: Open Large Language Model for Few-shot Molecule Generation | May 7, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| The Role of Model Architecture and Scale in Predicting Molecular Properties: Insights from Fine-Tuning RoBERTa, BART, and LLaMA | May 2, 2024 | BenchmarkingDrug Discovery | CodeCode Available | 0 |
| HiGraphDTI: Hierarchical Graph Representation Learning for Drug-Target Interaction Prediction | Apr 16, 2024 | Graph Representation Learningmolecular representation | —Unverified | 0 |
| Active Causal Learning for Decoding Chemical Complexities with Targeted Interventions | Apr 5, 2024 | Active Learningmolecular representation | —Unverified | 0 |
| Contextual Molecule Representation Learning from Chemical Reaction Knowledge | Feb 21, 2024 | molecular representationRepresentation Learning | CodeCode Available | 0 |
