xiangxiang Zeng

Learning Chemical Knowledge from Large-Scale Unlabeled Molecular Data for Retrosynthesis

Cross-Cancer Knowledge Transfer in WSI-based Prognosis Prediction

Binding Mode Matters: Residue-Guided Drug Discovery via Explorative Preferences

Learning Mutation-Aware Visual Context for Antibody-Antigen Affinity Maturation Prediction

An All-Atom Generative Model for Designing Protein Complexes

Self-supervised Blending Structural Context of Visual Molecules for Robust Drug Interaction Prediction

SurfDesign: Effective Protein Design on Molecular Surfaces

VFDiff: SE(3)-Equivariant Vector Field Guided Diffusion Model for Target-Aware Molecule Generation in 3D

Towards Synergistic Path-based Explanations for Knowledge Graph Completion: Exploration and Evaluation

Large Language and Protein Assistant for Protein-Protein Interactions prediction

BenchMol: A Multi-Modality Benchmarking Platform for Molecular Representation Learning

Surface-based Peptide Design with Multi-modal Flow Matching

Similarity-Driven Regularization for Aligning Chemical and Latent Spaces in Molecular Design