Chang‐Yu Hsieh

Zhejiang Lab — China

Computer Science · Physical Sciences

38h-index7.9kcitations233works9.42yr avg
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Research Topics

Computational Drug Discovery Methods(99), Machine Learning in Materials Science(81), Protein Structure and Dynamics(41), Quantum Computing Algorithms and Architecture(39), Quantum Information and Cryptography(34)

Publications233 total

Unlocking the application potential of AlphaFold3-like approaches in virtual screening
Chemical Science·2025Open Access
A virtual platform for automated hybrid organic-enzymatic synthesis planning
Nature Communications·2025Open Access
mRNABERT: advancing mRNA sequence design with a universal language model and comprehensive dataset
Nature Communications·2025Open Access
CONFIDE: Hallucination Assessment for Reliable Biomolecular Structure Prediction and Design
arXiv (Cornell University)·2025Open Access
SynGFN: learning across chemical space with generative flow-based molecular discovery
Nature Computational Science·2025· 2 cited
ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design
Nature Computational Science·2025
Harnessing deep statistical potential for biophysical scoring of protein-peptide interactions
Acta Pharmacologica Sinica·2025Open Access
Interpretable PROTAC Degradation Prediction With Structure‐Informed Deep Ternary Attention Framework
Advanced Science·2025· 3 citedOpen Access
Graph Neural Networks in Modern AI-Aided Drug Discovery
Chemical Reviews·2025· 15 cited
PepBAN: A Deep Learning Framework with Bilinear Attention and Adversarial Learning for Peptide–Protein Interaction Prediction
Journal of Chemical Information and Modeling·2025· 1 cited
RSGPT: a generative transformer model for retrosynthesis planning pre-trained on ten billion datapoints
Nature Communications·2025· 2 citedOpen Access
DGMM: A Deep Learning-Genetic Algorithm Framework for Efficient Lead Optimization in Drug Discovery
Journal of Chemical Information and Modeling·2025· 1 cited
BioScore: A Foundational Scoring Function For Diverse Biomolecular Complexes
arXiv (Cornell University)·2025Open Access
A Neural-Guided Variational Quantum Algorithm for Efficient Sign Structure Learning in Hybrid Architectures
arXiv (Cornell University)·2025Open Access
HiCLR: Knowledge-Induced Hierarchical Contrastive Learning with Retrosynthesis Prediction Yields a Reaction Foundation Model
JACS Au·2025Open Access
ChargeNet: E(3) Equivariant Graph Attention Network for Atomic Charge Prediction
Journal of Chemical Information and Modeling·2025· 1 cited
LumiCharge: Spherical Harmonic Convolutional Networks for Atomic Charge Prediction in Drug Discovery
The Journal of Physical Chemistry Letters·2025
Graph Neural Networks in Modern AI-aided Drug Discovery
arXiv (Cornell University)·2025Open Access
Token-Mol 1.0: tokenized drug design with large language models
Nature Communications·2025· 9 citedOpen Access
AutoLoop: a novel autoregressive deep learning method for protein loop prediction with high accuracy
arXiv (Cornell University)·2025Open Access
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Frequent Co-authors

Tingjun Hou(28), Dongsheng Cao(15), Dejun Jiang(14), Jike Wang(13), Zhenhua Wu(12), Chao Shen(12), Yu Kang(12), Yafeng Deng(11), Xujun Zhang(10), Shengyu Zhang(10), Hongyan Du(7), Peichen Pan(7), Odin Zhang(7), Ben Liao(5), Benben Liao(5), Guangyong Chen(5), Chee‐Kong Lee(5), Guangyong Chen(4), Mingyang Wang(4), Shi‐Xin Zhang(4)