1 citations · 1 across the 1 of their papers we have counts for
5 papers
Multi-Alignment Contrastive Learning for Enzyme--Reaction Retrieval
Gengmo Zhou, Feng Yu, Wenda Wang +4
Identifying enzymes that catalyze target biochemical reactions is a key step in computational enzyme discovery and biocatalyst design. Recent representation-learning methods formul…
FuseDiff: Symmetry-Preserving Joint Diffusion for Dual-Target Structure-Based Drug Design
Jianliang Wu, Anjie Qiao, Zhen Wang +2
Dual-target structure-based drug design aims to generate a single ligand together with two pocket-specific binding poses, each compatible with a corresponding target pocket, enabli…
ReDiSC: A Reparameterized Masked Diffusion Model for Scalable Node Classification with Structured Predictions
Yule Li, Yifeng Lu, Zhen Wang +3
In recent years, graph neural networks (GNN) have achieved unprecedented successes in node classification tasks. Although GNNs inherently encode specific inductive biases (e.g., ac…
Simple and Optimal Algorithms for Heavy Hitters and Frequency Moments in Distributed Models
Zengfeng Huang, Zhongzheng Xiong, Xiaoyi Zhu +1
We consider the problems of distributed heavy hitters and frequency moments in both the coordinator model and the distributed tracking model (also known as the distributed function…
S-MolSearch: 3D Semi-supervised Contrastive Learning for Bioactive Molecule Search
Gengmo Zhou, Zhen Wang, Feng Yu +3
Virtual Screening is an essential technique in the early phases of drug discovery, aimed at identifying promising drug candidates from vast molecular libraries. Recently, ligand-ba…