245 citations · 520 across the 8 of their papers we have counts for
3 papers · 1 filter
Multi-modal Molecule Structure-text Model for Text-based Retrieval and Editing
Shengchao Liu, Weili Nie, Chengpeng Wang +6
There is increasing adoption of artificial intelligence in drug discovery. However, existing studies use machine learning to mainly utilize the chemical structures of molecules but…
State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
Zhuoran Qiao, Weili Nie, Arash Vahdat +2
The binding complexes formed by proteins and small molecule ligands are ubiquitous and critical to life. Despite recent advancements in protein structure prediction, existing algor…
Retrieval-based Controllable Molecule Generation
Zichao Wang, Weili Nie, Zhuoran Qiao +3
Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods…