MolClaw: An Autonomous Agent with Hierarchical Skills for Drug Molecule Evaluation, Screening, and Optimization
Lisheng Zhang, Lilong Wang, Xiangyu Sun, Wei Tang, Haoyang Su, Yuehui Qian, Qikui Yang, Qingsong Li, Zhenyu Tang, Haoran Sun, Yingnan Han, Yankai Jiang, Wenjie Lou, Bin Zhou, Xiaosong Wang, , Zhengwei Xie
MolClaw is an autonomous agent that evaluates, screens, and optimizes drug molecules using a hierarchical skill system, achieving state-of-the-art performance in complex workflows.
bioRxiv · Apr 6, 2026 · PreprintBioinformatics