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Molecular property prediction is gaining increasing attention due to its diverse applications.
RDKit: Open-source cheminformatics
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Weihua Hu, Muhammed Shuaibi, Abhishek Das, Siddharth Goyal, Anuroop Sriram, Jure Leskovec, Devi Parikh, and C Lawrence Zitnick
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Deep residual learning for image recognition
Kaiming He, Xiangyu Zhang, Shaoqing Ren, and Jian Sun
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Identity mappings in deep residual networks
Kaiming He, Xiangyu Zhang, Shaoqing Ren, and Jian Sun
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Yi Liu, Limei Wang, Meng Liu, Xuan Zhang, Bora Oztekin, and Shuiwang Ji · 2021
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Molecule representation learning by leveraging chemical information
Weibin Li, Shanzhuo Zhang, Lihang Liu, Zhengjie Huang, Jieqiong Lei, Xiaomin Fang, Shikun Feng, and Fan Wang · 2021
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