Spatial Attention Kinetic Networks with E(n)-Equivariance

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Spatial Attention Kinetic Networks with E(n)-Equivariance

21 January 2023

Yuanqing Wang

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Papers citing "Spatial Attention Kinetic Networks with E(n)-Equivariance"

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Title
Molecular Dynamics and Machine Learning Unlock Possibilities in Beauty Design -- A Perspective Yuzhi Xu Haowei Ni Qinhui Gao Chia-Hua Chang Yanran Huo ... Yike Zhang Radu Grovu Min He John Z. H. Zhang Yuanqing Wang AI4CE 65 0 0 08 Oct 2024
On the design space between molecular mechanics and machine learning force fields Yuanqing Wang Kenichiro Takaba Michael S. Chen Marcus Wieder Yuzhi Xu ... Kyunghyun Cho Joe G. Greener Peter K. Eastman Stefano Martiniani M. Tuckerman AI4CE 99 5 0 03 Sep 2024
Non-convolutional Graph Neural Networks Yuanqing Wang N. Scherer-Negenborn GNN 83 5 0 31 Jul 2024
GeoMFormer: A General Architecture for Geometric Molecular Representation Learning Tianlang Chen Shengjie Luo Di He Shuxin Zheng Tie-Yan Liu Liwei Wang AI4CE 82 6 0 24 Jun 2024
Relaxing Continuous Constraints of Equivariant Graph Neural Networks for Physical Dynamics Learning Zinan Zheng Yang Liu Jia Li Jianhua Yao Yu Rong AI4CE 80 1 0 24 Jun 2024
Equivariant Graph Neural Operator for Modeling 3D Dynamics Minkai Xu Jiaqi Han Aaron Lou Jean Kossaifi Arvind Ramanathan Kamyar Azizzadenesheli J. Leskovec Stefano Ermon A. Anandkumar AI4CE 125 23 0 19 Jan 2024
Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Products Shengjie Luo Tianlang Chen Aditi S. Krishnapriyan 85 26 0 18 Jan 2024
SEGNO: Generalizing Equivariant Graph Neural Networks with Physical Inductive Biases Yang Liu Jiashun Cheng Haihong Zhao Tingyang Xu P. Zhao Fugee Tsung Jia Li Yu Rong AI4CE 110 19 0 25 Aug 2023
TensorNet: Cartesian Tensor Representations for Efficient Learning of Molecular Potentials Guillem Simeon Gianni De Fabritiis 100 49 0 10 Jun 2023
EspalomaCharge: Machine learning-enabled ultra-fast partial charge assignment Yuanqing Wang Iván Pulido Kenichiro Takaba Benjamin Kaminow Jenke Scheen Lily Wang J. Chodera 68 18 0 14 Feb 2023
Benchmarking Graph Neural Networks Vijay Prakash Dwivedi Chaitanya K. Joshi Anh Tuan Luu T. Laurent Yoshua Bengio Xavier Bresson 589 954 0 02 Mar 2020

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