134 citations · 137 across the 3 of their papers we have counts for
4 papers
Multi-task Bioassay Pre-training for Protein-ligand Binding Affinity Prediction
Jiaxian Yan, Zhaofeng Ye, Ziyi Yang +4
Protein-ligand binding affinity (PLBA) prediction is the fundamental task in drug discovery. Recently, various deep learning-based models predict binding affinity by incorporating…
Protein-Ligand Complex Generator & Drug Screening via Tiered Tensor Transform
Jonathan P. Mailoa, Zhaofeng Ye, Jiezhong Qiu +2
The generation of small molecule candidate (ligand) binding poses in its target protein pocket is important for computer-aided drug discovery. Typical rigid-body docking methods ig…
TensorCircuit: a Quantum Software Framework for the NISQ Era
Shi-Xin Zhang, Jonathan Allcock, Zhou-Quan Wan +13
TensorCircuit is an open source quantum circuit simulator based on tensor network contraction, designed for speed, flexibility and code efficiency. Written purely in Python, and bu…
SPLDExtraTrees: Robust machine learning approach for predicting kinase inhibitor resistance
Ziyi Yang, Zhaofeng Ye, Yijia Xiao +2
Drug resistance is a major threat to the global health and a significant concern throughout the clinical treatment of diseases and drug development. The mutation in proteins that i…