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| Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design | Oct 28, 2024 | Drug Design | CodeCode Available | 1 |
| SAFE setup for generative molecular design | Oct 26, 2024 | Data AugmentationDrug Design | —Unverified | 0 |
| ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design | Oct 22, 2024 | Drug Design | —Unverified | 0 |
| DeltaDock: A Unified Framework for Accurate, Efficient, and Physically Reliable Molecular Docking | Oct 15, 2024 | Blind DockingDrug Design | CodeCode Available | 1 |
| Y-Mol: A Multiscale Biomedical Knowledge-Guided Large Language Model for Drug Development | Oct 15, 2024 | Drug DesignKnowledge Graphs | —Unverified | 0 |
| Systems-Structure-Based Drug Design | Oct 14, 2024 | Drug DesignDrug Discovery | —Unverified | 0 |
| Diversity-Aware Reinforcement Learning for de novo Drug Design | Oct 14, 2024 | DiversityDrug Design | —Unverified | 0 |
| Boltzmann-Aligned Inverse Folding Model as a Predictor of Mutational Effects on Protein-Protein Interactions | Oct 12, 2024 | Drug DesignInductive Bias | —Unverified | 0 |
| Generative Flows on Synthetic Pathway for Drug Design | Oct 6, 2024 | Drug DesignDrug Discovery | CodeCode Available | 2 |
