182 citations · 247 across the 5 of their papers we have counts for
5 papers
PepBenchmark: A Standardized Benchmark for Peptide Machine Learning
Jiahui Zhang, Rouyi Wang, Kuangqi Zhou +4
Peptide therapeutics are widely regarded as the "third generation" of drugs, yet progress in peptide Machine Learning (ML) are hindered by the absence of standardized benchmarks. H…
MIPS: a Multimodal Infinite Polymer Sequence Pre-training Framework for Polymer Property Prediction
Jiaxi Wang, Yaosen Min, Xun Zhu +2
Polymers, composed of repeating structural units called monomers, are fundamental materials in daily life and industry. Accurate property prediction for polymers is essential for t…
Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning
Shuxin Zheng, Jiyan He, Chang Liu +15
Advances in deep learning have greatly improved structure prediction of molecules. However, many macroscopic observations that are important for real-world applications are not fun…
From Static to Dynamic Structures: Improving Binding Affinity Prediction with Graph-Based Deep Learning
Yaosen Min, Ye Wei, Peizhuo Wang +10
Accurate prediction of protein-ligand binding affinities is an essential challenge in structure-based drug design. Despite recent advances in data-driven methods for affinity predi…
Multi-view Graph Contrastive Representation Learning for Drug-Drug Interaction Prediction
Yingheng Wang, Yaosen Min, Xin Chen +1
Drug-drug interaction(DDI) prediction is an important task in the medical health machine learning community. This study presents a new method, multi-view graph contrastive represen…