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| DrugGen enhances drug discovery with large language models and reinforcement learning | Apr 18, 2025 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| Dr-COVID: Graph Neural Networks for SARS-CoV-2 Drug Repurposing | Dec 3, 2020 | Drug DesignGraph Neural Network | CodeCode Available | 0 | 5 |
| DP-Fast MH: Private, Fast, and Accurate Metropolis-Hastings for Large-Scale Bayesian Inference | Mar 10, 2023 | Bayesian InferenceDrug Design | CodeCode Available | 0 | 5 |
| CASTER: Predicting Drug Interactions with Chemical Substructure Representation | Nov 15, 2019 | Dictionary LearningDrug Design | CodeCode Available | 0 | 5 |
| GGL-PPI: Geometric Graph Learning to Predict Mutation-Induced Binding Free Energy Changes | Sep 23, 2023 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| Guided Multi-objective Generative AI to Enhance Structure-based Drug Design | May 20, 2024 | Drug DesignDrug Discovery | CodeCode Available | 0 | 5 |
| Learning MDL logic programs from noisy data | Aug 18, 2023 | Drug DesignInductive logic programming | CodeCode Available | 0 | 5 |
| Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods | Oct 14, 2023 | Drug DesignMolecular Docking | —Unverified | 0 | 0 |
| Docking-based generative approaches in the search for new drug candidates | Nov 22, 2023 | Drug DesignMolecular Docking | —Unverified | 0 | 0 |
