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Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs


Sep 30, 2021
Zhao Xu, Youzhi Luo, Xuan Zhang, Xinyi Xu, Yaochen Xie, Meng Liu, Kaleb Dickerson, Cheng Deng, Maho Nakata, Shuiwang Ji


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Group Contrastive Self-Supervised Learning on Graphs


Jul 20, 2021
Xinyi Xu, Cheng Deng, Yaochen Xie, Shuiwang Ji


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Fast Quantum Property Prediction via Deeper 2D and 3D Graph Networks


Jun 16, 2021
Meng Liu, Cong Fu, Xuan Zhang, Limei Wang, Yaochen Xie, Hao Yuan, Youzhi Luo, Zhao Xu, Shenglong Xu, Shuiwang Ji

* One of the winners of 2021 KDD Cup on OGB Large-Scale Challenge 

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DIG: A Turnkey Library for Diving into Graph Deep Learning Research


Mar 23, 2021
Meng Liu, Youzhi Luo, Limei Wang, Yaochen Xie, Hao Yuan, Shurui Gui, Zhao Xu, Haiyang Yu, Jingtun Zhang, Yi Liu, Keqiang Yan, Bora Oztekin, Haoran Liu, Xuan Zhang, Cong Fu, Shuiwang Ji


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Self-Supervised Learning of Graph Neural Networks: A Unified Review


Feb 23, 2021
Yaochen Xie, Zhao Xu, Zhengyang Wang, Shuiwang Ji

* 17 pages, 6 figures 

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MoleculeKit: Machine Learning Methods for Molecular Property Prediction and Drug Discovery


Dec 02, 2020
Zhengyang Wang, Meng Liu, Youzhi Luo, Zhao Xu, Yaochen Xie, Limei Wang, Lei Cai, Shuiwang Ji

* Supplementary Material: https://documentcloud.adobe.com/link/track?uri=urn:aaid:scds:US:d0ca85d1-c6f9-428b-ae2b-c3bf3257196d 

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Augmented Equivariant Attention Networks for Electron Microscopy Image Super-Resolution


Nov 06, 2020
Yaochen Xie, Yu Ding, Shuiwang Ji


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Noise2Same: Optimizing A Self-Supervised Bound for Image Denoising


Oct 22, 2020
Yaochen Xie, Zhengyang Wang, Shuiwang Ji

* 15 pages, NeurIPS 2020 

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Global Voxel Transformer Networks for Augmented Microscopy


Aug 05, 2020
Zhengyang Wang, Yaochen Xie, Shuiwang Ji

* Supplementary Material: https://documentcloud.adobe.com/link/track?uri=urn:aaid:scds:US:967e80e2-d90e-49ad-b4f9-f6ca12379e1f 

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