Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide pe... Conference Paper May, 2022
Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery... Conference Paper May, 2022
Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer... Conference Paper May, 2022
Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling across Multiple GPUs Conference Paper December, 2021
High-Performance Deep Learning Toolbox for Genome-Scale Prediction of Protein Structure and Function... Conference Paper November, 2021
Modeling protein structures from predicted contacts with modern molecular dynamics potentials: accuracy, sensitivity, and ref... Conference Paper August, 2021
A Multiscale Model of Fungal Impact on Chemotactic Behavior of Mycorrhizal Helper Bacteria... Conference Paper February, 2021
Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms... Conference Paper January, 2021
Performance Potential of Mixed Data Management Modes for Heterogeneous Memory Systems... Conference Paper November, 2020