Deep Molecular Representation Learning via Fusing Physical and Chemical
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Deep Molecular Representation Learning via Fusing Physical and Chemical Information

28 November 2021

Papers citing "Deep Molecular Representation Learning via Fusing Physical and Chemical Information"

18 / 18 papers shown

Title
MOL-Mamba: Enhancing Molecular Representation with Structural & Electronic Insights Jingjing Hu D. Guo Zhan Si Deguang Liu Yunfeng Diao J. Zhang Jinxing Zhou Meng Wang Mamba 98 1 0 21 Dec 2024
Molecular Graph Representation Learning Integrating Large Language Models with Domain-specific Small Models Tianyu Zhang Yuxiang Ren Chengbin Hou Hairong Lv Xuegong Zhang AI4CE 29 1 0 19 Aug 2024
Impact of Domain Knowledge and Multi-Modality on Intelligent Molecular Property Prediction: A Systematic Survey Taojie Kuang Pengfei Liu Zhixiang Ren AI4CE 42 1 0 11 Feb 2024
GlycoNMR: Dataset and benchmarks for NMR chemical shift prediction of carbohydrates with graph neural networks Zizhang Chen R. P. Badman Lachele Foley Robert Woods Pengyu Hong 38 0 0 28 Nov 2023
ODE-based Recurrent Model-free Reinforcement Learning for POMDPs Xu Zhao Duzhen Zhang Liyuan Han Tielin Zhang Bo Xu 35 7 0 25 Sep 2023
Uncovering Neural Scaling Laws in Molecular Representation Learning Dingshuo Chen Yanqiao Zhu Jieyu Zhang Yuanqi Du Zhixun Li Qiang Liu Shu Wu Liang Wang 26 16 0 15 Sep 2023
A Survey on Graph Neural Network Acceleration: Algorithms, Systems, and Customized Hardware Shichang Zhang Atefeh Sohrabizadeh Cheng Wan Zijie Huang Ziniu Hu Yewen Wang Yingyan Lin Lin Jason Cong Yizhou Sun GNN AI4CE 29 22 0 24 Jun 2023
Deep Learning Methods for Small Molecule Drug Discovery: A Survey Wenhao Hu Yingying Liu Xuanyu Chen Wenhao Chai Hangyue Chen Hongwei Wang Gaoang Wang 58 10 0 01 Mar 2023
Graph Scattering beyond Wavelet Shackles Christian Koke Gitta Kutyniok 16 4 0 26 Jan 2023
PEMP: Leveraging Physics Properties to Enhance Molecular Property Prediction Yuancheng Sun Yimeng Chen Weizhi Ma Wenhao Huang Kang Liu Zhiming Ma Wei-Ying Ma Yanyan Lan 18 7 0 18 Oct 2022
Improving Molecular Pretraining with Complementary Featurizations Yanqiao Zhu Dingshuo Chen Yuanqi Du Yingze Wang Qiang Liu Shu Wu AI4CE 31 6 0 29 Sep 2022
Graph-based Molecular Representation Learning Zhichun Guo Kehan Guo B. Nan Yijun Tian Roshni G. Iyer ... Olaf Wiest Xiangliang Zhang Wei Wang Chuxu Zhang Nitesh V. Chawla AI4CE 20 60 0 08 Jul 2022
Improving Molecular Representation Learning with Metric Learning-enhanced Optimal Transport Fang Wu Nicolas Courty Shuting Jin Stan Z. Li OOD OT 11 8 0 13 Feb 2022
Equivalent Distance Geometry Error for Molecular Conformation Comparison Shuwen Yang Tianyu Wen Ziyao Li Guojie Song 13 0 0 13 Nov 2021
Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation Jiaxuan You Bowen Liu Rex Ying Vijay S. Pande J. Leskovec GNN 197 885 0 07 Jun 2018
3D-PhysNet: Learning the Intuitive Physics of Non-Rigid Object Deformations Zhihua Wang Stefano Rosa Bo Yang Sen Wang A. Trigoni Andrew Markham AI4CE 33 25 0 25 Apr 2018
Junction Tree Variational Autoencoder for Molecular Graph Generation Wengong Jin Regina Barzilay Tommi Jaakkola 219 1,337 0 12 Feb 2018
MoleculeNet: A Benchmark for Molecular Machine Learning Zhenqin Wu Bharath Ramsundar Evan N. Feinberg Joseph Gomes C. Geniesse Aneesh S. Pappu K. Leswing Vijay S. Pande OOD 166 1,775 0 02 Mar 2017