Latest Research

A Deep Learning Approach for Rational Ligand Generation with Toxicity Control via Reactive Building Blocks
Nature Computational Science
(2024 Nature 子刊)

A Molecular Video-derived Foundation Model Streamlines Scientific Drug Discovery
Nature Communications,2024
(Nature 子刊)

A Foundation Model Identifies Broad-Spectrum Antimicrobial Peptides against Drug-Resistant Bacterial Infection
Nature Communications
(2024 Nature 子刊)

HydrogelFinder: A Foundation Model for Efficient Self-Assembling Peptide Discovery Guided by Non-Peptidal Small Molecules
Advanced Science

An Image-enhanced Molecular Graph Representation Learning Framework
IJCAI 2024
(CCF A)

Interformer: an interaction-aware model for protein-ligand docking and affinity prediction
Nature Communications
(Nature 子刊 2024)