| Heterogeneous Multi-Layered Network Model for Omics Data Integration and Analysis B Lee, S Zhang, A Poleksic, L Xie Frontiers in Genetics 10, 1381, 2020 | 107 | 2020 |
| Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures S Zhang, Y Liu, L Xie Machine Learning for Structural Biology Workshop (MLSB) at NeurIPS 2020, 2020 | 68 | 2020 |
| Improving Attention Mechanism in Graph Neural Networks via Cardinality Preservation S Zhang, L Xie International Joint Conference on Artificial Intelligence (IJCAI 2020), 2020 | 61 | 2020 |
| End-to-end sequence-structure-function meta-learning predicts genome-wide chemical-protein interactions for dark proteins T Cai, L Xie, S Zhang, M Chen, D He, A Badkul, Y Liu, HK Namballa, ... PLOS Computational Biology 19 (1), e1010851, 2023 | 15 | 2023 |
| A Universal Framework for Accurate and Efficient Geometric Deep Learning of Molecular Systems S Zhang, Y Liu, L Xie Scientific Reports 13 (1), 19171, 2023 | 10 | 2023 |
| Efficient and Accurate Physics-aware Multiplex Graph Neural Networks for 3D Small Molecules and Macromolecule Complexes S Zhang, Y Liu, L Xie arXiv preprint arXiv:2206.02789, 2022 | 10 | 2022 |
| Theoretical study of adsorption and dehydrogenation of C2H4 on Cu (410) S Zhang, Y Sun, W Zhang, Z Li Chinese Journal of Chemical Physics 31 (4), 485-491, 2018 | 6 | 2018 |
| Physics-aware Graph Neural Network for Accurate RNA 3D Structure Prediction S Zhang, Y Liu, L Xie Machine Learning for Structural Biology Workshop (MLSB) at NeurIPS 2022, 2022 | 5 | 2022 |
| Exploration of dark chemical genomics space via portal learning: applied to targeting the undruggable genome and covid-19 anti-infective polypharmacology T Cai, L Xie, M Chen, Y Liu, D He, S Zhang, C Mura, PE Bourne, L Xie Research Square, 2021 | 4 | 2021 |
| TrustAffinity: accurate, reliable and scalable out-of-distribution protein-ligand binding affinity prediction using trustworthy deep learning A Badkul, L Xie, S Zhang, L Xie New Frontiers of AI for Drug Discovery and Development (AI4D3) Workshop at …, 2023 | 1 | 2023 |
| MolGene-E: Inverse Molecular Design to Modulate Single Cell Transcriptomics R Ohlan, R Murugan, L Xie, M Mottaqi, S Zhang, L Xie ICML 2024 AI for Science Workshop, 2024 | | 2024 |
| Protein Language Model-Powered 3D Ligand Binding Site Prediction from Protein Sequence S Zhang, L Xie NeurIPS 2023 AI for Science Workshop, 2023 | | 2023 |
| Method and apparatus for designing ligand molecules Y Yang, J Lu, S Zhang, H Zhou WO Patent WO2023155724A1, 2023 | | 2023 |
| Learning Universal and Robust 3D Molecular Representations with Graph Convolutional Networks S Zhang, Y Liu, L Xie, L Xie arXiv preprint arXiv:2307.12491, 2023 | | 2023 |
| Optimization and Application of Graph Neural Networks S Zhang City University of New York, 2023 | | 2023 |
| Binding Site-enhanced Sequence Pretraining and Out-of-cluster Meta-learning Predict Genome-Wide Chemical-Protein Interactions for Dark Proteins T Cai, L Xie, S Zhang, M Chen, D He, A Badkul, Y Liu, HK Namballa, ... bioRxiv, 2022.11. 15.516682, 2022 | | 2022 |
| Enhancing Attention-based Graph Neural Networks via Cardinality Preservation S Zhang, L Xie Deep Learning on Graphs Workshop at AAAI 2020, 2019 | | 2019 |
Lei XieProfesssor, Hunter College, CUNY; Adjunct Professor, WCM, Cornell UniversityVerified email at hunter.cuny.edu