| Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization | Jul 1, 2024 | AvgDrug Design | CodeCode Available | 1 |
| DCI: An Accurate Quality Assessment Criteria for Protein Complex Structure Models | Jun 30, 2024 | Drug Design | —Unverified | 0 |
| YZS-model: A Predictive Model for Organic Drug Solubility Based on Graph Convolutional Networks and Transformer-Attention | Jun 27, 2024 | Drug DesignDrug Discovery | CodeCode Available | 0 |
| Molecular Diffusion Models with Virtual Receptors | Jun 26, 2024 | Drug DesignProtein Folding | —Unverified | 0 |
| A Comprehensive Review of Emerging Approaches in Machine Learning for De Novo PROTAC Design | Jun 24, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| General Binding Affinity Guidance for Diffusion Models in Structure-Based Drug Design | Jun 24, 2024 | BenchmarkingDrug Design | CodeCode Available | 1 |
| Efficient Evolutionary Search Over Chemical Space with Large Language Models | Jun 23, 2024 | Drug DesignEvolutionary Algorithms | CodeCode Available | 2 |
| Explainable Machine Learning and Deep Learning Models for Predicting TAS2R-Bitter Molecule Interactions | Jun 21, 2024 | Drug DesignExplainable Models | —Unverified | 0 |
| Geometric-informed GFlowNets for Structure-Based Drug Design | Jun 16, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph | Jun 16, 2024 | Drug DesignFairness | CodeCode Available | 3 |
