4 citations · 4 across the 3 of their papers we have counts for
3 papers
q-bio.BM2023
An Equivariant Generative Framework for Molecular Graph-Structure Co-Design
Zaixi Zhang, Qi Liu, Chee-Kong Lee +2
Designing molecules with desirable physiochemical properties and functionalities is a long-standing challenge in chemistry, material science, and drug discovery. Recently, machine…
physics.chem-ph2021★ 4 cited
Graph Self-Supervised Learning for Optoelectronic Properties of Organic Semiconductors
Zaixi Zhang, Qi Liu, Shengyu Zhang +3
The search for new high-performance organic semiconducting molecules is challenging due to the vastness of the chemical space, machine learning methods, particularly deep learning…
cs.LG2021
ProtGNN: Towards Self-Explaining Graph Neural Networks
Zaixi Zhang, Qi Liu, Hao Wang +2
Despite the recent progress in Graph Neural Networks (GNNs), it remains challenging to explain the predictions made by GNNs. Existing explanation methods mainly focus on post-hoc e…