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"

8 / 8 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 94 1 0 21 Dec 2024
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 15 0 15 Sep 2023
Graph Scattering beyond Wavelet Shackles Christian Koke Gitta Kutyniok 16 3 0 26 Jan 2023
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 189 885 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 1,332 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 162 1,775 0 02 Mar 2017