| Deep Reinforcement Learning for De-Novo Drug Design | Nov 29, 2017 | Deep Reinforcement LearningDrug Design | CodeCode Available | 0 | 5 |
| Multi-Objective De Novo Drug Design with Conditional Graph Generative Model | Jan 18, 2018 | Drug Designvalid | CodeCode Available | 0 | 5 |
| N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules | Jun 24, 2018 | Drug DesignGraph Neural Network | CodeCode Available | 0 | 5 |
| Molecular Graph Contrastive Learning with Line Graph | Jan 15, 2025 | AttributeContrastive Learning | CodeCode Available | 0 | 5 |
| DeeperBind: Enhancing Prediction of Sequence Specificities of DNA Binding Proteins | Nov 17, 2016 | Drug DesignSpecificity | CodeCode Available | 0 | 5 |
| Mol-MoE: Training Preference-Guided Routers for Molecule Generation | Feb 8, 2025 | BenchmarkingDrug Design | CodeCode Available | 0 | 5 |
| DeepAtom: A Framework for Protein-Ligand Binding Affinity Prediction | Dec 1, 2019 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| NovoMol: Recurrent Neural Network for Orally Bioavailable Drug Design and Validation on PDGFRα Receptor | Dec 3, 2023 | Drug Design | CodeCode Available | 0 | 5 |
| ResAtom System: Protein and Ligand Affinity Prediction Model Based on Deep Learning | Apr 17, 2021 | Drug DesignMolecular Docking | CodeCode Available | 0 | 5 |
| Learning MDL logic programs from noisy data | Aug 18, 2023 | Drug DesignInductive logic programming | CodeCode Available | 0 | 5 |
