no code implementations • 1 Mar 2024 • Jiaqi Han, Jiacheng Cen, Liming Wu, Zongzhao Li, Xiangzhe Kong, Rui Jiao, Ziyang Yu, Tingyang Xu, Fandi Wu, Zihe Wang, Hongteng Xu, Zhewei Wei, Yang Liu, Yu Rong, Wenbing Huang
Geometric graph is a special kind of graph with geometric features, which is vital to model many scientific problems.
no code implementations • 21 Feb 2024 • Xiangzhe Kong, Wenbing Huang, Yang Liu
Peptide design plays a pivotal role in therapeutics, allowing brand new possibility to leverage target binding sites that are previously undruggable.
no code implementations • 20 Feb 2024 • Rui Jiao, Xiangzhe Kong, Ziyang Yu, Wenbing Huang, Yang Liu
Pretraining on a large number of unlabeled 3D molecules has showcased superiority in various scientific applications.
no code implementations • 2 Jun 2023 • Xiangzhe Kong, Wenbing Huang, Yang Liu
Extensive experiments on the interactions between proteins, small molecules and RNA/DNAs verify the effectiveness and generalization capability of our proposed method across different domains.
1 code implementation • 1 Feb 2023 • Xiangzhe Kong, Wenbing Huang, Yang Liu
Finally, the updated antibody is docked to the epitope via the alignment of the shadow paratope.
2 code implementations • 12 Aug 2022 • Xiangzhe Kong, Wenbing Huang, Yang Liu
Specifically, the relative improvement to baselines is about 23% in antigen-binding CDR design and 34% for affinity optimization.
3 code implementations • 29 Jun 2021 • Xiangzhe Kong, Wenbing Huang, Zhixing Tan, Yang Liu
Molecule generation is central to a variety of applications.
no code implementations • Findings (ACL) 2021 • Xiangzhe Kong, Jialiang Huang, Ziquan Tung, Jian Guan, Minlie Huang
Current storytelling systems focus more ongenerating stories with coherent plots regard-less of the narration style, which is impor-tant for controllable text generation.