9 papers
Doloris: Dual Conditional Diffusion Implicit Bridges with Sparsity Masking Strategy for Unpaired Single-Cell Perturbation Estimation
Changxi Chi, Jun Xia, Yufei Huang +9
Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficienc…
VecFormer: Towards Efficient and Generalizable Graph Transformer with Graph Token Attention
Jingbo Zhou, Jun Xia, Siyuan Li +11
Graph Transformer has demonstrated impressive capabilities in the field of graph representation learning. However, existing approaches face two critical challenges: (1) most models…
Departures: Distributional Transport for Single-Cell Perturbation Prediction with Neural Schrödinger Bridges
Changxi Chi, Yufei Huang, Jun Xia +4
Predicting single-cell perturbation outcomes directly advances gene function analysis and facilitates drug candidate selection, making it a key driver of both basic and translation…
AlphaFold Database Debiasing for Robust Inverse Folding
Cheng Tan, Zhenxiao Cao, Zhangyang Gao +3
The AlphaFold Protein Structure Database (AFDB) offers unparalleled structural coverage at near-experimental accuracy, positioning it as a valuable resource for data-driven protein…
Tokenizing Electron Cloud in Protein-Ligand Interaction Learning
Haitao Lin, Odin Zhang, Jia Xu +6
The affinity and specificity of protein-molecule binding directly impact functional outcomes, uncovering the mechanisms underlying biological regulation and signal transduction. Mo…
dyAb: Flow Matching for Flexible Antibody Design with AlphaFold-driven Pre-binding Antigen
Cheng Tan, Yijie Zhang, Zhangyang Gao +6
The development of therapeutic antibodies heavily relies on accurate predictions of how antigens will interact with antibodies. Existing computational methods in antibody design of…