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An Equivariant Generative Framework for Molecular Graph-Structure Co-Design

Zaixi Zhang, Qi Liu, Chee-Kong Lee, Chang-Yu Hsieh, Enhong Chen
doi: https://doi.org/10.1101/2023.04.13.536803
Zaixi Zhang
1Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China, Hefei, Anhui 230026, China
2State Key Laboratory of Cognitive Intelligence, Hefei, Anhui, 230088, China
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Qi Liu
1Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China, Hefei, Anhui 230026, China
2State Key Laboratory of Cognitive Intelligence, Hefei, Anhui, 230088, China
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  • For correspondence: qiliuql@ustc.edu.cn
Chee-Kong Lee
3Tencent America, Palo Alto, CA 94306, United States
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Chang-Yu Hsieh
4Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, 310058, China
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Enhong Chen
1Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China, Hefei, Anhui 230026, China
2State Key Laboratory of Cognitive Intelligence, Hefei, Anhui, 230088, China
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Article Information

doi 
https://doi.org/10.1101/2023.04.13.536803
History 
  • April 17, 2023.
Copyright 
The copyright holder for this preprint is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under a CC-BY-ND 4.0 International license.

Author Information

  1. Zaixi Zhang1,2,
  2. Qi Liu1,2,✉,
  3. Chee-Kong Lee3,
  4. Chang-Yu Hsieh4 and
  5. Enhong Chen1,2
  1. 1Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China, Hefei, Anhui 230026, China
  2. 2State Key Laboratory of Cognitive Intelligence, Hefei, Anhui, 230088, China
  3. 3Tencent America, Palo Alto, CA 94306, United States
  4. 4Innovation Institute for Artificial Intelligence in Medicine of Zhejiang University, College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, 310058, China
  1. ↵✉qiliuql{at}ustc.edu.cn
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Posted April 17, 2023.
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An Equivariant Generative Framework for Molecular Graph-Structure Co-Design
Zaixi Zhang, Qi Liu, Chee-Kong Lee, Chang-Yu Hsieh, Enhong Chen
bioRxiv 2023.04.13.536803; doi: https://doi.org/10.1101/2023.04.13.536803
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An Equivariant Generative Framework for Molecular Graph-Structure Co-Design
Zaixi Zhang, Qi Liu, Chee-Kong Lee, Chang-Yu Hsieh, Enhong Chen
bioRxiv 2023.04.13.536803; doi: https://doi.org/10.1101/2023.04.13.536803

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