| Computational Explorations in Biomedicine: Unraveling Molecular Dynamics for Cancer, Drug Delivery, and Biomolecular Insights using LAMMPS Simulations | Nov 21, 2023 | Computational EfficiencyDrug Design | —Unverified | 0 |
| STRIDE: Structure-guided Generation for Inverse Design of Molecules | Nov 6, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
| Delta Score: Improving the Binding Assessment of Structure-Based Drug Design Methods | Nov 1, 2023 | Drug DesignDrug Discovery | —Unverified | 0 |
| Conformal Drug Property Prediction with Density Estimation under Covariate Shift | Oct 18, 2023 | Conformal PredictionDensity Estimation | —Unverified | 0 |
| Docking Peptides into HIV/FIV Protease with Deep Learning and Focused Peptide Docking Methods | Oct 14, 2023 | Drug DesignMolecular Docking | —Unverified | 0 |
| PointGAT: A quantum chemical property prediction model integrating graph attention and 3D geometry | Oct 8, 2023 | 3D geometryComputational chemistry | —Unverified | 0 |
| Diffusing on Two Levels and Optimizing for Multiple Properties: A Novel Approach to Generating Molecules with Desirable Properties | Oct 5, 2023 | Drug Design | —Unverified | 0 |
| De Novo Drug Design with Joint Transformers | Oct 3, 2023 | DecoderDrug Design | —Unverified | 0 |
| A Comprehensive Review of Generative AI in Healthcare | Oct 1, 2023 | DiagnosticDrug Design | —Unverified | 0 |
| Language models in molecular discovery | Sep 28, 2023 | ChatbotComputational chemistry | —Unverified | 0 |
