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Deep Learning Interatomic Potential Connects Molecular Structural Ordering to Macroscale Properties of Polyacrylonitrile (PAN) Polymer

보고서

Author: Chahal, Rajni
Toomey, Michael D.
Kearney, Logan T.
Sedova, Ada
Damron, Joshua T.
Naskar, Amit K.
Roy, Santanu
DB Label: Database : arXiv

원문보기: Open Access (Arxiv)

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

회의자료

issue: 2022 22nd IEEE International Symposium on Cluster, Cloud and Internet Computing (CCGrid) CCGRID Cluster, Cloud and Internet Computing (CCGrid), 2022 22nd IEEE International Symposium on. :975-984 May, 2022
Author: Thavappiragasam, Mathialakan
Elwasif, Wael
Sedova, Ada
DB Label: Database : IEEE Xplore Digital Library

원문보기: Full Text (IEEE)

Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer

회의자료

issue: 2022 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW) IPDPSW Parallel and Distributed Processing Symposium Workshops (IPDPSW), 2022 IEEE International. :206-215 May, 2022
Author: Gao, Mu
Coletti, Mark
Davidson, Russell B.
Prout, Ryan
Abraham, Subil
Hernandez, Benjamin
Sedova, Ada
DB Label: Database : IEEE Xplore Digital Library

원문보기: Full Text (IEEE)

Addressing Load Imbalance in Bioinformatics and Biomedical Applications: Efficient Scheduling across Multiple GPUs

회의자료

issue: 2021 IEEE International Conference on Bioinformatics and Biomedicine (BIBM) Bioinformatics and Biomedicine (BIBM), 2021 IEEE International Conference on. :1992-1999 Dec, 2021
Author: Thavappiragasam, Mathialakan
Kale, Vivek
Hernandez, Oscar
Sedova, Ada
DB Label: Database : IEEE Xplore Digital Library

원문보기: Full Text (IEEE)

High-Performance Deep Learning Toolbox for Genome-Scale Prediction of Protein Structure and Function

회의자료

issue: 2021 IEEE/ACM Workshop on Machine Learning in High Performance Computing Environments (MLHPC) MLHPC Machine Learning in High Performance Computing Environments (MLHPC), 2021 IEEE/ACM Workshop on. :46-57 Nov, 2021
Author: Gao, Mu
Lund-Andersen, Peik
Morehead, Alex
Mahmud, Sajid
Chen, Chen
Chen, Xiao
Giri, Nabin
Roy, Raj S.
Quadir, Farhan
Effler, T. Chad
Prout, Ryan
Abraham, Subil
Elwasif, Wael
Haas, N. Quentin
Skolnick, Jeffrey
Cheng, Jianlin
Sedova, Ada
DB Label: Database : IEEE Xplore Digital Library

원문보기: Full Text (IEEE)

Performance Portability of Molecular Docking Miniapp On Leadership Computing Platforms

회의자료

issue: 2020 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC) P3HPC Performance, Portability and Productivity in HPC (P3HPC), 2020 IEEE/ACM International Workshop on. :36-44 Nov, 2020
Author: Thavappiragasam, Mathialakan
Scheinberg, Aaron
Elwasif, Wael
Hernandez, Oscar
Sedova, Ada
DB Label: Database : IEEE Xplore Digital Library

원문보기: Full Text (IEEE)

DIPS-Plus: The enhanced database of interacting protein structures for interface prediction

학술저널

issue: Scientific Data. 10(1)
Author: Morehead, Alex^{Aff1, IDs41597023024093_cor1}
Chen, Chen
Sedova, Ada
Cheng, Jianlin
DB Label: Database : Springer Nature Journals

원문보기: OA (Springer) OA (Nature) 등재 - Web of Science (SCIE) 등재 - SCOPUS 조회 - Impact Factor (JCR)

SARS-CoV2 billion-compound docking

학술저널

issue: Scientific Data. 10(1)
Author: Rogers, David M.^{Aff1, IDs41597023019849_cor1}
Agarwal, Rupesh^{Aff2, Aff3}
Vermaas, Josh V.^{Aff1, Aff4}
Smith, Micholas Dean^{Aff2, Aff3}
Rajeshwar, Rajitha T.^{Aff2, Aff3}
Cooper, Connor^{Aff2, Aff5}
Sedova, Ada
Boehm, Swen
Baker, Matthew
Glaser, Jens
Smith, Jeremy C.^{Aff2, Aff3, IDs41597023019849_cor11}
DB Label: Database : Springer Nature Journals

원문보기: OA (Springer) OA (Nature) 등재 - Web of Science (SCIE) 등재 - SCOPUS 조회 - Impact Factor (JCR)

DIPS-Plus: The Enhanced Database of Interacting Protein Structures for Interface Prediction

보고서

Author: Morehead, Alex
Chen, Chen
Sedova, Ada
Cheng, Jianlin
DB Label: Database : arXiv

원문보기: Open Access (Arxiv)

High-Performance Molecular Dynamics Simulation for Biological and Materials Sciences: Challenges of Performance Portability

회의자료

issue: 2018 IEEE/ACM International Workshop on Performance, Portability and Productivity in HPC (P3HPC) P3HPC Performance, Portability and Productivity in HPC (P3HPC), 2018 IEEE/ACM International Workshop on. :1-13 Nov, 2018
Author: Sedova, Ada
Eblen, John D.
Budiardja, Reuben
Tharrington, Arnold
Smith, Jeremy C.
DB Label: Database : IEEE Xplore Digital Library

원문보기: Full Text (IEEE)

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