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Tsinghua University / Agency for Science, Technology and Research (A*STAR) / Gluetacs Therapeutics / Xuzhou Medical University / Central South University / China University of Mining and Technology / Jiangnan University / Sichuan University
Released March 2, 2025
PROTAC degradation prediction from molecular graphs of the target, linker, and E3 ligase, combining cross-attention with contrastive learning.
Zhejiang University / Xuzhou Medical University / Shanghai Jiao Tong University / Harvard University / McGill University / Macao Polytechnic University
Released June 4, 2024
Structure-based molecular design that samples a quantum electron cloud in the protein pocket, then decodes it into ligands with a Llama-style model.