Tsinghua AIR publishes PocketXMol, an atomic-level generative AI model for drug design, in Cell
AITsinghua AIR researchers published PocketXMol in Cell, a generative AI model that uses atomic-level task prompts to handle 13 protein-pocket interaction tasks without task-specific fine-tuning. The model reached state-of-the-art results on 11 of those tasks, and designed Caspase-9 inhibitors and PD-L1-binding peptides showed experimental activity in biological tests.
AIWhy it matters.
The paper unifies several molecular generation tasks in one model and reports wet-lab validation of designed inhibitors and peptides, useful for comparing AI drug discovery approaches.
Source details
Tsinghua AIR · air.tsinghua.edu.cnPublished · added here
Original title: Cell重磅！清华AIR发布原子级生成式AI制药模型