| Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design | Sep 16, 2024 | DenoisingDrug Design | CodeCode Available | 1 |
| CoPRA: Bridging Cross-domain Pretrained Sequence Models with Complex Structures for Protein-RNA Binding Affinity Prediction | Aug 21, 2024 | Drug DesignPrediction | CodeCode Available | 1 |
| What Ails Generative Structure-based Drug Design: Expressivity is Too Little or Too Much? | Aug 12, 2024 | AttributeDrug Design | CodeCode Available | 1 |
| Small Molecule Optimization with Large Language Models | Jul 26, 2024 | Drug Design | CodeCode Available | 1 |
| Ranking protein-protein models with large language models and graph neural networks | Jul 23, 2024 | Drug Design | CodeCode Available | 1 |
| Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization | Jul 1, 2024 | AvgDrug Design | CodeCode Available | 1 |
| General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design | Jun 24, 2024 | BenchmarkingDrug Design | CodeCode Available | 1 |
| A survey and benchmark of high-dimensional Bayesian optimization of discrete sequences | Jun 7, 2024 | Bayesian OptimizationDrug Design | CodeCode Available | 1 |
| Modeling PROTAC Degradation Activity with Machine Learning | Jun 4, 2024 | Binary ClassificationDrug Design | CodeCode Available | 1 |
| Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate? | Jun 4, 2024 | Drug Design | CodeCode Available | 1 |
