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A photonic chip-based machine learning approach for the prediction of molecular properties


Mar 03, 2022
Jonathan Wei Zhong Lau, Hui Zhang, Lingxiao Wan, Liang Shi, Hong Cai, Xianshu Luo, Patrick Lo, Chee-Kong Lee, Leong-Chuan Kwek, Ai Qun Liu

* 23 pages, 4 figures 

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Motif-based Graph Self-Supervised Learning for Molecular Property Prediction


Oct 16, 2021
Zaixi Zhang, Qi Liu, Hao Wang, Chengqiang Lu, Chee-Kong Lee

* Accepted by NeurIPS'21 

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Motif-based Graph Self-Supervised Learning forMolecular Property Prediction


Oct 03, 2021
Zaixi Zhang, Qi Liu, Hao Wang, Chengqiang Lu, Chee-Kong Lee

* Accepted by NeurIPS'21 

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Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models


Jun 22, 2019
Guangyong Chen, Pengfei Chen, Chang-Yu Hsieh, Chee-Kong Lee, Benben Liao, Renjie Liao, Weiwen Liu, Jiezhong Qiu, Qiming Sun, Jie Tang, Richard Zemel, Shengyu Zhang

* Authors are listed in alphabetical order 

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