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A Roadmap for Big Model


Apr 02, 2022
Sha Yuan, Hanyu Zhao, Shuai Zhao, Jiahong Leng, Yangxiao Liang, Xiaozhi Wang, Jifan Yu, Xin Lv, Zhou Shao, Jiaao He, Yankai Lin, Xu Han, Zhenghao Liu, Ning Ding, Yongming Rao, Yizhao Gao, Liang Zhang, Ming Ding, Cong Fang, Yisen Wang, Mingsheng Long, Jing Zhang, Yinpeng Dong, Tianyu Pang, Peng Cui, Lingxiao Huang, Zheng Liang, Huawei Shen, Hui Zhang, Quanshi Zhang, Qingxiu Dong, Zhixing Tan, Mingxuan Wang, Shuo Wang, Long Zhou, Haoran Li, Junwei Bao, Yingwei Pan, Weinan Zhang, Zhou Yu, Rui Yan, Chence Shi, Minghao Xu, Zuobai Zhang, Guoqiang Wang, Xiang Pan, Mengjie Li, Xiaoyu Chu, Zijun Yao, Fangwei Zhu, Shulin Cao, Weicheng Xue, Zixuan Ma, Zhengyan Zhang, Shengding Hu, Yujia Qin, Chaojun Xiao, Zheni Zeng, Ganqu Cui, Weize Chen, Weilin Zhao, Yuan Yao, Peng Li, Wenzhao Zheng, Wenliang Zhao, Ziyi Wang, Borui Zhang, Nanyi Fei, Anwen Hu, Zenan Ling, Haoyang Li, Boxi Cao, Xianpei Han, Weidong Zhan, Baobao Chang, Hao Sun, Jiawen Deng, Chujie Zheng, Juanzi Li, Lei Hou, Xigang Cao, Jidong Zhai, Zhiyuan Liu, Maosong Sun, Jiwen Lu, Zhiwu Lu, Qin Jin, Ruihua Song, Ji-Rong Wen, Zhouchen Lin, Liwei Wang, Hang Su, Jun Zhu, Zhifang Sui, Jiajun Zhang, Yang Liu, Xiaodong He, Minlie Huang, Jian Tang, Jie Tang

* arXiv admin note: text overlap with arXiv:2107.06499 by other authors 

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GeoDiff: a Geometric Diffusion Model for Molecular Conformation Generation


Mar 06, 2022
Minkai Xu, Lantao Yu, Yang Song, Chence Shi, Stefano Ermon, Jian Tang

* Published as a conference paper at ICLR 2022 (https://openreview.net/forum?id=PzcvxEMzvQC

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TorchDrug: A Powerful and Flexible Machine Learning Platform for Drug Discovery


Feb 16, 2022
Zhaocheng Zhu, Chence Shi, Zuobai Zhang, Shengchao Liu, Minghao Xu, Xinyu Yuan, Yangtian Zhang, Junkun Chen, Huiyu Cai, Jiarui Lu, Chang Ma, Runcheng Liu, Louis-Pascal Xhonneux, Meng Qu, Jian Tang


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Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction


Jun 08, 2021
Hangrui Bi, Hengyi Wang, Chence Shi, Connor Coley, Jian Tang, Hongyu Guo


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Learning Gradient Fields for Molecular Conformation Generation


Jun 07, 2021
Chence Shi, Shitong Luo, Minkai Xu, Jian Tang

* ICML 2021, Long talk 

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An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming


Jun 02, 2021
Minkai Xu, Wujie Wang, Shitong Luo, Chence Shi, Yoshua Bengio, Rafael Gomez-Bombarelli, Jian Tang

* Accepted by ICML 2021 

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MARS: Markov Molecular Sampling for Multi-objective Drug Discovery


Mar 18, 2021
Yutong Xie, Chence Shi, Hao Zhou, Yuwei Yang, Weinan Zhang, Yong Yu, Lei Li

* ICLR 2021 

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Non-autoregressive electron flow generation for reaction prediction


Dec 16, 2020
Hangrui Bi, Hengyi Wang, Chence Shi, Jian Tang


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