| Mol-MoE: Training Preference-Guided Routers for Molecule Generation | Feb 8, 2025 | BenchmarkingDrug Design | CodeCode Available | 0 |
| Utilizing Reinforcement Learning for de novo Drug Design | Mar 30, 2023 | DiversityDrug Design | CodeCode Available | 0 |
| N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | Jun 24, 2018 | Drug DesignGraph Neural Network | CodeCode Available | 0 |
| DeeperBind: Enhancing Prediction of Sequence Specificities of DNA Binding Proteins | Nov 17, 2016 | Drug DesignSpecificity | CodeCode Available | 0 |
| NovoMol: Recurrent Neural Network for Orally Bioavailable Drug Design and Validation on PDGFRα Receptor | Dec 3, 2023 | Drug Design | CodeCode Available | 0 |
| Molecular Graph Contrastive Learning with Line Graph | Jan 15, 2025 | AttributeContrastive Learning | CodeCode Available | 0 |
| Vector Optimization with Gaussian Process Bandits | Dec 3, 2024 | Drug Design | CodeCode Available | 0 |
| Ollivier persistent Ricci curvature (OPRC) based molecular representation for drug design | Nov 20, 2020 | BIG-bench Machine LearningDrug Design | CodeCode Available | 0 |
| From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics | Jun 13, 2024 | Drug DesignDrug Discovery | CodeCode Available | 0 |
| ResAtom System: Protein and Ligand Affinity Prediction Model Based on Deep Learning | Apr 17, 2021 | Drug DesignMolecular Docking | CodeCode Available | 0 |
