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Yuanqi Du

  cornell university

20H指数
114论文数
2.9K被引数
收录论文 12
发表时间
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The rise of generative AI for metal-organic framework design and synthesis生成式AI在金属有机框架设计及合成中的应用兴起
errMatter
IF17.5
err2026-03-30
err0
errOAAI
errChenru Duan; Aditya Nandy; Shyam Chand Pal; Xin Yang; Wenhao Gao; Yuanqi Du; Hendrik Kraß; Yeonghun Kang; Varinia Bernales; Zuyang Ye; Tristan Pyle; Ray Yang; Zeqi Gu; Philippe Schwaller; Shengqian Ma; Shijing Sun; Alán Aspuru-Guzik; Seyed Mohamad Moosavi; Robert Wexler; Zhiling Zheng
err分享
err收藏
Efficient Deep Generative Models for Spatial Networks via Spanning Tree Sampler通过生成树采样器实现空间网络的深度生成模型
errACM Transactions on Knowledge Discovery from Data
IF4.8
err2026-01-01
err0
PREAI
errGuo, Xiaojie; Du, Yuanqi; Zhang, Zheng; Zhao, Liang
err分享
err收藏
AlphaNet: scaling up local-frame-based neural network interatomic potentialsAlphaNet：基于局部坐标系神经网络原子间势能的扩展
errnpj Computational Materials
IF11.9
err2025-11-17
err0
errOAAI
errBangchen Yin; Jiaao Wang; Weitao Du; Pengbo Wang; Penghua Ying; Haojun Jia; Zisheng Zhang; Yuanqi Du; Carla Gomes; Chenru Duan; Graeme Henkelman; Hai Xiao
err分享
err收藏
Optimal transport for generating transition states in chemical reactions在化学反应中产生过渡态的最佳传输
errNATURE MACHINE INTELLIGENCE
IF23.9
err2025-04-23
err0
errOAAI
errDuan, Chenru; Liu, Guan-Horng; Du, Yuanqi; Chen, Tianrong; Zhao, Qiyuan; Jia, Haojun; Gomes, Carla P.; Theodorou, Evangelos A.; Kulik, Heather J.
err分享
err收藏
Structure-based drug design with equivariant diffusion models基于结构的等变扩散模型药物设计
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2024-12-09
err0
errOAAI
errSchneuing, Arne; Harris, Charles; Du, Yuanqi; Didi, Kieran; Jamasb, Arian; Igashov, Ilia; Du, Weitao; Gomes, Carla; Blundell, Tom L.; Lio, Pietro; Welling, Max; Bronstein, Michael; Correia, Bruno
err分享
err收藏
Machine learning-aided generative molecular design机器学习辅助的生成性分子设计
errNATURE MACHINE INTELLIGENCE
IF23.9
err2024-06-18
err11
PREAI
errDu, Yuanqi; Jamasb, Arian R.; Guo, Jeff; Fu, Tianfan; Harris, Charles; Wang, Yingheng; Duan, Chenru; Lio, Pietro; Schwaller, Philippe; Blundell, Tom L.
err分享
err收藏
Controllable Data Generation by Deep Learning: A Review基于深度学习的可控数据生成: 综述
errACM COMPUTING SURVEYS
IF28
err2024-04-25
err5
errOAAI
errWang, Shiyu; Du, Yuanqi; Guo, Xiaojie; Pan, Bo; Qin, Zhaohui; Zhao, Liang
err分享
err收藏
Molecular Contrastive Pretraining with Collaborative Featurizations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-02-05
err1
PREAI
errZhu, Yanqiao; Chen, Dingshuo; Du, Yuanqi; Wang, Yingze; Liu, Qiang; Wu, Shu
err分享
err收藏
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model具有对象感知的等变基本反应扩散模型的精确过渡状态生成
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-12-15
err12
PREAI
errDuan, Chenru; Du, Yuanqi; Jia, Haojun; Kulik, Heather J.
err分享
err收藏
Generative Adversarial Learning of Protein Tertiary Structures蛋白质三级结构的生成对抗学习
errMOLECULES
IF4.6
err2021-02-24
err14
errOAAI
errRahman, Taseef; Du, Yuanqi; Zhao, Liang; Shehu, Amarda
err分享
err收藏
Monolithically integrated InP-based photonic chip development for O-CDMA systems
errIEEE JOURNAL OF SELECTED TOPICS IN QUANTUM ELECTRONICS
IF5.1
err2005-01-01
err51
PREAI
errJi, C; Broeke, RG; Du, Y; Cao, J; Chubun, N; Bjeletich, P; Olsson, F; Lourdudoss, S; Welty, R; Reinhardt, C; Stephan, PL; Yoo, SJB
err分享
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Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge and Reasoning Capability of Large Language Models利用大型语言模型内部知识和推理能力进行功能金属配合物的生成设计
errJournal of the American Chemical Society
IF15.6
err
err0
PREAI
errJieyu Lu; Zhangde Song; Qiyuan Zhao; Yuanqi Du; Yirui Cao; Haojun Jia; Chenru Duan
err分享
err收藏

研究方向

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合作学者
合作期刊
S
Shengqian Ma
H 指数: 126 · 论文数: 646
A
Alán Aspuru‐Guzik
H 指数: 114 · 论文数: 939
T
Tom L. Blundell
H 指数: 112 · 论文数: 736
G
Graeme Henkelman
H 指数: 89 · 论文数: 466
M
Max Welling
H 指数: 86 · 论文数: 523
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