Zhengkai Tu

1. Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction
   2021/10/19 by Zhengkai Tu, Tu, Zhengkai, Connor W. Coley +1 · 9 citations
   Chemistry · Computer Science · Materials Science · #Asymmetric Hydrogenation and Catalysis #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Topic Modeling
2. RxnScribe: A Sequence Generation Model for Reaction Diagram Parsing
   2023/05/19 by Yujie Qian, Jiang Guo, Qian, Yujie +7 · 5 citations
   Computer Science · Materials Science · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #Computational Drug Discovery Methods #Computer Vision and Pattern Recognition (cs.CV) #FOS: Computer and information sciences #Machine Learning in Materials Science #Software Engineering Research
3. ASKCOS: an open source software suite for synthesis planning
   2025/01/03 by Zhengkai Tu, Sourabh J. Choure, Tu, Zhengkai +33 · 2 citations
   Engineering · #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Manufacturing Process and Optimization