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 15 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
MetamatBench: Integrating Heterogeneous Data, Computational Tools, and Visual Interface for Metamaterial Discovery Jianpeng Chen Wangzhi Zhan Haohui Wang Z. Jia Jingru Gan ... Lifu Huang Muhao Chen Ling Li Wei Wang Dawei Zhou 34 1 0 08 May 2025
Flow Along the K-Amplitude for Generative Modeling Weitao Du Shuning Chang Jiasheng Tang Yu Rong F. Wang Shengchao Liu 84 0 0 27 Apr 2025
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
Evaluating representation learning on the protein structure universe Arian R. Jamasb Alex Morehead Chaitanya K. Joshi Zuobai Zhang Kieran Didi ... Charles Harris Jian Tang Jianlin Cheng Pietro Lio Tom L. Blundell SSL 119 13 0 19 Jun 2024
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
A quatum inspired neural network for geometric modeling Weitao Du Shengchao Liu Xuecang Zhang AI4CE 79 0 0 03 Jan 2024
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
A Text-guided Protein Design Framework Shengchao Liu Yanjing Li Zhuoxinran Li A. Gitter Yutao Zhu ... Arvind Ramanathan Chaowei Xiao Jian Tang Hongyu Guo Anima Anandkumar 130 70 0 09 Feb 2023
Material Property Prediction using Graphs based on Generically Complete Isometry Invariants Jonathan Balasingham Viktor Zamaraev Vitaliy Kurlin 49 5 0 19 Dec 2022
Evaluating Self-Supervised Learning for Molecular Graph Embeddings Hanchen Wang Jean Kaddour Shengchao Liu Jian Tang Joan Lasenby Qi Liu 121 23 0 16 Jun 2022