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HPC Molecular Simulation Tries Out a New GPU: Experiences on Early AMD Test Systems for the Frontier Supercomputer... Conference Paper June, 2022
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
Combinatorial Genetic Regulatory Network Analysis Tools for High Throughput Transcriptomic Data... Conference Paper December, 2006