Title
UniMate: A Unified Model for Mechanical Metamaterial Generation, Property Prediction, and Condition Confirmation Wangzhi Zhan Jianpeng Chen Dongqi Fu Dawei Zhou AI4CE 20 0 0 05 Jun 2025
Scalable Generation of Spatial Transcriptomics from Histology Images via Whole-Slide Flow Matching Tinglin Huang Tianyu Liu Mehrtash Babadi Wengong Jin Rex Ying MedIm 17 0 0 25 May 2025
EDBench: Large-Scale Electron Density Data for Molecular Modeling Hongxin Xiang Ke Li M. Liu Zhixiang Cheng Bin Yao Wenjie Du Jun Xia Li Zeng Xin Jin Xiangxiang Zeng 59 0 0 14 May 2025
Building-Block Aware Generative Modeling for 3D Crystals of Metal Organic Frameworks Chenru Duan Aditya Nandy Sizhan Liu Yuanqi Du Liu He Yi Qu Haojun Jia Jin-Hu Dou AI4CE 93 0 0 13 May 2025
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Reduced-Order Neural Operators: Learning Lagrangian Dynamics on Highly Sparse Graphs Hrishikesh Viswanath Yue Chang Julius Berner Julius Berner Peter Yichen Chen Aniket Bera AI4CE 169 2 0 04 Jul 2024
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A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics Shengchao Liu Weitao Du Yanjing Li Zhuoxinran Li Vignesh C. Bhethanabotla ... O. Yaghi C. Borgs A. Anandkumar Hongyu Guo J. Chayes AI4CE 82 4 0 26 Jan 2024
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Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion Weitao Du Jiujiu Chen Xuecang Zhang Zhiming Ma Shengchao Liu DiffM 80 9 0 06 Dec 2023
A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining Shengchao Liu Weitao Du Zhiming Ma Hongyu Guo Jian Tang 107 33 0 28 May 2023
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