activity
20242026
most citedStructure-based Drug Design Benchmark: Do 3D Methods Really Dominate?

5 citations · 7 across the 6 of their papers we have counts for

collaborators

7 papers

quant-ph2026

Turning Quantum Compiler Configuration Selection Upside Down: A Top-Down Paradigm

Ming Zhong, Xiangyu Ren, Kangyu Zheng +4

Selecting an effective quantum compiler configuration requires coordinated decisions over both hardware targets and compiler settings, with the ultimate goal of improving circuit e…

quant-ph2026

SQD-Enabled Circuit Compression for Resource-Efficient Quantum Chemistry

Kangyu Zheng, Yidong Zhou, Jinglei Cheng +3

Sample-based Quantum Diagonalization (SQD) recovers ground-state energies by classically diagonalizing a Hamiltonian in the subspace spanned by quantum samples, requiring only bits…

physics.chem-ph2026

Q-Score: A Quantum-Native Scoring Function for Molecular Docking

Kangyu Zheng, Yidong Zhou, Ruihao Li +3

Molecular docking predicts how a small molecule binds to a protein and is a key bottleneck in drug discovery. Classical scoring functions sum empirical pairwise contacts, blind to…

cs.LG2026

Beyond Affinity: A Benchmark of 1D, 2D, and 3D Methods Reveals Critical Trade-offs in Structure-Based Drug Design

Kangyu Zheng, Kai Zhang, Jiale Tan +7

Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. Whi…

quant-ph2025

QCS-ADME: Quantum Circuit Search for Drug Property Prediction with Imbalanced Data and Regression Adaptation

Kangyu Zheng, Tianfan Fu, Zhiding Liang

The biomedical field is beginning to explore the use of quantum machine learning (QML) for tasks traditionally handled by classical machine learning, especially in predicting ADME…

cs.LG2024★ 5 cited

Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate?

Kangyu Zheng, Yingzhou Lu, Zaixi Zhang +4

Currently, the field of structure-based drug design is dominated by three main types of algorithms: search-based algorithms, deep generative models, and reinforcement learning. Whi…

cs.CV2024★ 2 cited

Argus: Benchmarking and Enhancing Vision-Language Models for 3D Radiology Report Generation

Che Liu, Zhongwei Wan, Yuqi Wang +5

Automatic radiology report generation holds significant potential to streamline the labor-intensive process of report writing by radiologists, particularly for 3D radiographs such…