| Deep Manifold Transformation for Protein Representation Learning | Jan 12, 2024 | Drug DesignRepresentation Learning | —Unverified | 0 |
| Hybrid quantum cycle generative adversarial network for small molecule generation | Dec 28, 2023 | DiversityDrug Design | —Unverified | 0 |
| Cellular forgetting, desensitisation, stress and aging in signalling networks. When do cells refuse to learn more? | Dec 28, 2023 | Change DetectionDrug Design | —Unverified | 0 |
| PlayMolecule Viewer: a toolkit for the visualization of molecules and other data | Dec 22, 2023 | Data VisualizationDrug Design | —Unverified | 0 |
| CrossBind: Collaborative Cross-Modal Identification of Protein Nucleic-Acid-Binding Residues | Dec 19, 2023 | Contrastive LearningDrug Design | CodeCode Available | 0 |
| Automating reward function configuration for drug design | Dec 15, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
| NovoMol: Recurrent Neural Network for Orally Bioavailable Drug Design and Validation on PDGFRα Receptor | Dec 3, 2023 | Drug Design | CodeCode Available | 0 |
| From Byte to Bench to Bedside: Molecular Dynamics Simulations and Drug Discovery | Nov 28, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
| GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks | Nov 28, 2023 | Drug Designmolecular representation | —Unverified | 0 |
| Docking-based generative approaches in the search for new drug candidates | Nov 22, 2023 | Drug DesignMolecular Docking | —Unverified | 0 |
