Neighborhood Complex Based Machine Learning (NCML) Models for Drug Design. - Xiang Liu 021; Kelin Xia (iMIMIC/TDA4MedicalData@MICCAI, 2021)

Persistent spectral hypergraph based machine learning (PSH-ML) for protein-ligand binding affinity prediction. - Xiang Liu 021; Huitao Feng; Jie Wu 038; Kelin Xia (Briefings Bioinform., 2021)

Hypergraph-based persistent cohomology (HPC) for molecular representations in drug design. - Xiang Liu 021; Xiangjun Wang; Jie Wu 038; Kelin Xia (Briefings Bioinform., 2021)

Persistent tor-algebra based stacking ensemble learning (PTA-SEL) for protein-protein binding affinity prediction. - Xiang Liu 021; Kelin Xia (TAG-ML, 2022)

Molecular persistent spectral image (Mol-PSI) representation for machine learning models in drug design. - Peiran Jiang; Ying Chi; Xiao-Shuang Li; Xiang Liu 021; Xian-Sheng Hua 001; Kelin Xia (Briefings Bioinform., 2022)

Multiphysical graph neural network (MP-GNN) for COVID-19 drug design. - Xiao-Shuang Li; Xiang Liu 021; Le Lu 001; Xian-Sheng Hua 001; Ying Chi; Kelin Xia (Briefings Bioinform., 2022)

Hom-Complex-Based Machine Learning (HCML) for the Prediction of Protein-Protein Binding Affinity Changes upon Mutation. - Xiang Liu 021; Huitao Feng; Jie Wu 038; Kelin Xia (J. Chem. Inf. Model., 2022)

Dowker complex based machine learning (DCML) models for protein-ligand binding affinity prediction. - Xiang Liu 021; Huitao Feng; Jie Wu 038; Kelin Xia (PLoS Comput. Biol., 2022)

Persistent Path-Spectral (PPS) Based Machine Learning for Protein-Ligand Binding Affinity Prediction. - Ran Liu; Xiang Liu 021; Jie Wu 038 (J. Chem. Inf. Model., 2023)

Persistent Tor-algebra for protein-protein interaction analysis. - Xiang Liu 021; Huitao Feng; Zhi Lü; Kelin Xia (Briefings Bioinform., 2023)

Multiscale Topological Indices for the Quantitative Prediction of SARS CoV-2 Binding Affinity Change upon Mutations. - Jialin Bi; Junjie Wee; Xiang Liu 021; Cunquan Qu; Guanghui Wang 002; Kelin Xia (J. Chem. Inf. Model., 2023)

Join Persistent Homology (JPH)-Based Machine Learning for Metalloprotein-Ligand Binding Affinity Prediction. - Yaxing Wang; Xiang Liu 021; Yipeng Zhang; Xiangjun Wang; Kelin Xia (J. Chem. Inf. Model., 2025)

Torsion Graph Neural Networks. - Cong Shen 002; Xiang Liu 021; Jiawei Luo 001; Kelin Xia (IEEE Trans. Pattern Anal. Mach. Intell., 2025)

Quotient Complex Transformer (QCformer) for Perovskite Data Analysis. - Xinyu You; Xiang Liu 021; Chuan-Shen Hu; Kelin Xia; Tze Chien Sum (CoRR, 2025)