Bioexcel building blocks test cases

Pau Andrio; Adam Hospital; Javier Conejero; Luis Jordá; Marc Del Pino; Laia Codo; Stian Soiland-Reyes; Carole Goble; Daniele Lezzi; Rosa Badia; Modesto Orozco; Josep Ll. Gelpi

doi:10.5281/zenodo.2581362

Bioexcel building blocks test cases

Pau Andrio, Adam Hospital, Javier Conejero, Luis Jordá, Marc Del Pino, Laia Codo, Stian Soiland-Reyes, Carole Goble, Daniele Lezzi, Rosa Badia, Modesto Orozco, Josep Ll. Gelpi

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Research output: Non-textual form › Data set/Database

Abstract

Bioexcel building blocks test cases for Lysozyme and Pyruvate Kinase executed in Workstations, OpenNebula VMs and MareNostrum4 HPC.

Original language	Undefined
Publisher	Zenodo
Media of output	Online
Size	1.9 GB
DOIs	https://doi.org/10.5281/zenodo.2581362
Publication status	Published - 18 Feb 2019

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10.5281/zenodo.2581362Licence: CC BY

1 Article

BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows
Andrio, P., Hospital, A., Conejero, J., Jordá, L., Del Pino, M., Codo, L., Soiland-reyes, S., Goble, C., Lezzi, D., Badia, R. M., Orozco, M. & Gelpi, J. L., 10 Sept 2019, In: Scientific Data. 6, 1, 8 p., 169.
Research output: Contribution to journal › Article › peer-review

Open Access

Cite this

@misc{6e7f106261f245c186e08726c95e87f9,

title = "Bioexcel building blocks test cases",

abstract = "Bioexcel building blocks test cases for Lysozyme and Pyruvate Kinase executed in Workstations, OpenNebula VMs and MareNostrum4 HPC.",

author = "Pau Andrio and Adam Hospital and Javier Conejero and Luis Jord{\'a} and \{Del Pino\}, Marc and Laia Codo and Stian Soiland-Reyes and Carole Goble and Daniele Lezzi and Rosa Badia and Modesto Orozco and Gelpi, \{Josep Ll.\}",

note = "Supporting material for Scientific Data journal article {"}BioExcel Building Blocks..{"} (10.1038/s41597-019-0177-4)",

year = "2019",

month = feb,

day = "18",

doi = "10.5281/zenodo.2581362",

language = "Undefined",

publisher = "Zenodo",

address = "Switzerland",

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TY - ADVS

T1 - Bioexcel building blocks test cases

AU - Andrio, Pau

AU - Hospital, Adam

AU - Conejero, Javier

AU - Jordá, Luis

AU - Del Pino, Marc

AU - Codo, Laia

AU - Soiland-Reyes, Stian

AU - Goble, Carole

AU - Lezzi, Daniele

AU - Badia, Rosa

AU - Orozco, Modesto

AU - Gelpi, Josep Ll.

N1 - Supporting material for Scientific Data journal article "BioExcel Building Blocks.." (10.1038/s41597-019-0177-4)

PY - 2019/2/18

Y1 - 2019/2/18

N2 - Bioexcel building blocks test cases for Lysozyme and Pyruvate Kinase executed in Workstations, OpenNebula VMs and MareNostrum4 HPC.

AB - Bioexcel building blocks test cases for Lysozyme and Pyruvate Kinase executed in Workstations, OpenNebula VMs and MareNostrum4 HPC.

U2 - 10.5281/zenodo.2581362

DO - 10.5281/zenodo.2581362

M3 - Data set/Database

PB - Zenodo

ER -

Bioexcel building blocks test cases

Abstract

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Research output

BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows

Cite this