Advanced graph and sequence neural networks for molecular property prediction and drug discovery von Wang, Zhengyang, Liu, Meng, Luo, Youzhi, Xu, Zhao, Xie, Yaochen, Wang, Limei, Cai, Lei, Qi, Qi, Yuan, Zhuoning, Yang, Tianbao, Ji, Shuiwang

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The structure and optical properties of C doped BN thin films deposited by RF reactive magnetron sputtering von Fan, Zhaohan, Cheng, Yong, Luo, Youzhi

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Towards Symmetry-Aware Generation of Periodic Materials von Luo, Youzhi, Liu, Chengkai, Ji, Shuiwang

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Graph Structure and Feature Extrapolation for Out-of-Distribution Generalization von Li, Xiner, Gui, Shurui, Luo, Youzhi, Ji, Shuiwang

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Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization von Gui, Shurui, Liu, Meng, Li, Xiner, Luo, Youzhi, Ji, Shuiwang

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Geometry Informed Tokenization of Molecules for Language Model Generation von Li, Xiner, Wang, Limei, Luo, Youzhi, Edwards, Carl, Gui, Shurui, Lin, Yuchao, Ji, Heng, Ji, Shuiwang

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GraphDF: A Discrete Flow Model for Molecular Graph Generation von Luo, Youzhi, Yan, Keqiang, Ji, Shuiwang

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Generating 3D Molecules for Target Protein Binding von Liu, Meng, Luo, Youzhi, Uchino, Kanji, Maruhashi, Koji, Ji, Shuiwang

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The turbulent behavior of novel free triple-impinging jets with large jet spacing by means of particle image velocimetry von Zhang, Jun, Liu, Youzhi, Luo, Ying

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QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 Molecules von Yu, Haiyang, Liu, Meng, Luo, Youzhi, Strasser, Alex, Qian, Xiaofeng, Qian, Xiaoning, Ji, Shuiwang

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Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction von Lin, Yuchao, Yan, Keqiang, Luo, Youzhi, Liu, Yi, Qian, Xiaoning, Ji, Shuiwang

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Towards Symmetry-Aware Generation of Periodic Materials von Luo, Youzhi, Liu, Chengkai, Ji, Shuiwang

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Stochastic Optimization of Areas Under Precision-Recall Curves with Provable Convergence von Qi, Qi, Luo, Youzhi, Xu, Zhao, Ji, Shuiwang, Yang, Tianbao

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3D Molecular Geometry Analysis with 2D Graphs von Xu, Zhao, Xie, Yaochen, Luo, Youzhi, Zhang, Xuan, Xu, Xinyi, Liu, Meng, Dickerson, Kaleb, Deng, Cheng, Nakata, Maho, Ji, Shuiwang

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Automated Data Augmentations for Graph Classification von Luo, Youzhi, McThrow, Michael, Au, Wing Yee, Komikado, Tao, Uchino, Kanji, Maruhashi, Koji, Ji, Shuiwang

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Graph Structure and Feature Extrapolation for Out-of-Distribution Generalization von Li, Xiner, Gui, Shurui, Luo, Youzhi, Ji, Shuiwang

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Joint Learning of Label and Environment Causal Independence for Graph Out-of-Distribution Generalization von Gui, Shurui, Liu, Meng, Li, Xiner, Luo, Youzhi, Ji, Shuiwang

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Stochastic Optimization of Areas Under Precision-Recall Curves with Provable Convergence von Qi, Qi, Luo, Youzhi, Zhao, Xu, Ji, Shuiwang, Yang, Tianbao

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Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs von Xu, Zhao, Luo, Youzhi, Zhang, Xuan, Xu, Xinyi, Xie, Yaochen, Liu, Meng, Dickerson, Kaleb, Deng, Cheng, Nakata, Maho, Ji, Shuiwang

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GraphDF: A Discrete Flow Model for Molecular Graph Generation von Luo, Youzhi, Yan, Keqiang, Ji, Shuiwang

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