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Benchmarking Accuracy and Generalizability of Four Graph Neural Networks Using Large In Vitro ADME Datasets from Different Chemical Spaces


Nov 27, 2021
Fabio Broccatelli, Richard Trager, Michael Reutlinger, George Karypis, Mufei Li


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DGL-LifeSci: An Open-Source Toolkit for Deep Learning on Graphs in Life Science


Jun 27, 2021
Mufei Li, Jinjing Zhou, Jiajing Hu, Wenxuan Fan, Yangkang Zhang, Yaxin Gu, George Karypis


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Deep Graph Library: Towards Efficient and Scalable Deep Learning on Graphs


Sep 03, 2019
Minjie Wang, Lingfan Yu, Da Zheng, Quan Gan, Yu Gai, Zihao Ye, Mufei Li, Jinjing Zhou, Qi Huang, Chao Ma, Ziyue Huang, Qipeng Guo, Hao Zhang, Haibin Lin, Junbo Zhao, Jinyang Li, Alexander Smola, Zheng Zhang


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