3 citations · 3 across the 7 of their papers we have counts for
7 papers
MuCO: Generative Peptide Cyclization Empowered by Multi-stage Conformation Optimization
Yitian Wang, Fanmeng Wang, Angxiao Yue +3
Modeling peptide cyclization is critical for the virtual screening of candidate peptides with desirable physical and pharmaceutical properties. This task is challenging because a c…
ReGuLaR: Variational Latent Reasoning Guided by Rendered Chain-of-Thought
Fanmeng Wang, Haotian Liu, Guojiang Zhao +2
While Chain-of-Thought (CoT) significantly enhances the performance of Large Language Models (LLMs), explicit reasoning chains introduce substantial computational redundancy. Recen…
A Conformation-Centric Generative Foundation Model for Linear Polymer Modeling and Design
Fanmeng Wang, Ruochao Wang, Shan Mei +5
Linear polymers, macromolecules formed from monomers covalently bonded into continuous chains, underpin countless technologies and are indispensable to modern life. While deep lear…
PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models
Fanmeng Wang, Wentao Guo, Qi Ou +4
Polymer conformation generation is a critical task that enables atomic-level studies of diverse polymer materials. While significant advances have been made in designing conformati…
Learning Structure-enhanced Temporal Point Processes with Gromov-Wasserstein Regularization
Qingmei Wang, Fanmeng Wang, Bing Su +1
Real-world event sequences are often generated by different temporal point processes (TPPs) and thus have clustering structures. Nonetheless, in the modeling and prediction of even…
WGFormer: An SE(3)-Transformer Driven by Wasserstein Gradient Flows for Molecular Ground-State Conformation Prediction
Fanmeng Wang, Minjie Cheng, Hongteng Xu
Predicting molecular ground-state conformation (i.e., energy-minimized conformation) is crucial for many chemical applications such as molecular docking and property prediction. Cl…
MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction
Fanmeng Wang, Wentao Guo, Minjie Cheng +3
Polymers are high-molecular-weight compounds constructed by the covalent bonding of numerous identical or similar monomers so that their 3D structures are complex yet exhibit unign…