Functional-Group-Based Diffusion for Pocket-Specific Molecule Generation and Elaboration. - Haitao Lin; Yufei Huang 002; Odin Zhang; Yunfan Liu 002; Lirong Wu; Siyuan Li 002; Zhiyuan Chen 008; Stan Z. Li (NeurIPS, 2023)

Teach Harder, Learn Poorer: Rethinking Hard Sample Distillation for GNN-to-MLP Knowledge Distillation. - Lirong Wu; Yunfan Liu 002; Haitao Lin; Yufei Huang 002; Stan Z. Li (CIKM, 2024)

Short-Long Convolutions Help Hardware-Efficient Linear Attention to Focus on Long Sequences. - Zicheng Liu 006; Siyuan Li 002; Li Wang; Zedong Wang; Yunfan Liu 002; Stan Z. Li (ICML, 2024)

GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation. - Haitao Lin; Lirong Wu; Yufei Huang 002; Yunfan Liu 002; Odin Zhang; Yuanqing Zhou; Rui Sun; Stan Z. Li (ICML, 2024)

Relation-Aware Equivariant Graph Networks for Epitope-Unknown Antibody Design and Specificity Optimization. - Lirong Wu; Haitao Lin; Yufei Huang 002; Zhangyang Gao; Cheng Tan 012; Yunfan Liu 002; Tailin Wu; Stan Z. Li (AAAI, 2025)

DaCapo: Score Distillation as Stacked Bridge for Fast and High-quality 3D Editing. - Yufei Huang 002; Bangyan Liao; Yuqi Hu; Haitao Lin; Lirong Wu; Siyuan Li 002; Cheng Tan 012; Zicheng Liu 006; Yunfan Liu 002; Zelin Zang; Chang Yu 001; Zhen Lei 001 (CVPR, 2025)

EVA: Geometric Inverse Design for Fast Protein Motif-Scaffolding with Coupled Flow. - Yufei Huang 002; Yunshu Liu; Lirong Wu; Haitao Lin; Cheng Tan 012; Odin Zhang; Zhangyang Gao; Siyuan Li 002; Zicheng Liu 006; Yunfan Liu 002; Tailin Wu; Stan Z. Li (ICLR, 2025)

A Simple yet Effective ΔΔG Predictor is An Unsupervised Antibody Optimizer and Explainer. - Lirong Wu; Yunfan Liu 002; Haitao Lin; Yufei Huang 002; Guojiang Zhao; Zhifeng Gao; Stan Z. Li (ICLR, 2025)

A Simple yet Effective DDG Predictor is An Unsupervised Antibody Optimizer and Explainer. - Lirong Wu; Yunfan Liu 002; Haitao Lin; Yufei Huang 002; Guojiang Zhao; Zhifeng Gao; Stan Z. Li (CoRR, 2025)

Tokenizing Electron Cloud in Protein-Ligand Interaction Learning. - Haitao Lin; Odin Zhang; Jia Xu; Yunfan Liu 002; Zheng Chen 014; Lirong Wu; Yufei Huang 002; Zhifeng Gao; Stan Z. Li (CoRR, 2025)

Unlasting: Unpaired Single-Cell Multi-Perturbation Estimation by Dual Conditional Diffusion Implicit Bridges. - Changxi Chi; Jun Xia 001; Yufei Huang 002; Jingbo Zhou; Siyuan Li 002; Yunfan Liu 002; Chang Yu 001; Stan Z. Li (CoRR, 2025)