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| # YAML 1.2 | ||
| --- | ||
| abstract: "BioExcel Building Blocks (BioBB) library. BioBB’s are built as Python wrappers to provide an interoperable architecture. BioBB’s have been integrated in a chain of usual software management tools to generate data ontologies, documentation, installation packages, software containers and ways of integration with workflow managers, that make them usable in most computational environments." | ||
| abstract: BioExcel Building Blocks (BioBB) library. BioBB's are built as Python wrappers to provide an interoperable architecture. BioBB's have been integrated in a chain of usual software management tools to generate data ontologies, documentation, installation packages, software containers and ways of integration with workflow managers, that make them usable in most computational environments. | ||
| authors: | ||
| - | ||
| affiliation: "Barcelona Supercomputing Center (BSC)" | ||
| family-names: "Andrio" | ||
| given-names: "Pau" | ||
| orcid: "https://orcid.org/0000-0003-2116-3880" | ||
| - | ||
| affiliation: "Institute for Research in Biomedicine (IRB Barcelona)" | ||
| family-names: "Hospital" | ||
| given-names: "Adam" | ||
| orcid: "https://orcid.org/0000-0002-8291-8071" | ||
| - | ||
| affiliation: "Barcelona Supercomputing Center (BSC)" | ||
| family-names: "Conejero" | ||
| given-names: "Javier" | ||
| orcid: "https://orcid.org/0000-0001-6401-6229" | ||
| - | ||
| affiliation: "Barcelona Supercomputing Center (BSC)" | ||
| family-names: "Jordà" | ||
| given-names: "Luis" | ||
| orcid: "https://orcid.org/0000-0002-9407-9703" | ||
| - | ||
| affiliation: "Barcelona Supercomputing Center (BSC)" | ||
| family-names: "Del Pino" | ||
| given-names: "Marc" | ||
| orcid: "https://orcid.org/0000-0001-5565-7577" | ||
| - | ||
| affiliation: "Barcelona Supercomputing Center (BSC)" | ||
| family-names: "Laia" | ||
| given-names: "Codó" | ||
| orcid: "https://orcid.org/0000-0002-6797-8746" | ||
| - | ||
| affiliation: "School of computer Science, the University of Manchester" | ||
| family-names: Werkhoven | ||
| given-names: Ben | ||
| name-particle: van | ||
| orcid: "https://orcid.org/0000-0002-7508-3272" | ||
| - | ||
| affiliation: "University of Manchester (UOM)" | ||
| family-names: "Soiland-Reyes" | ||
| given-names: "Stian" | ||
| orcid: "https://orcid.org/0000-0001-9842-9718" | ||
| - | ||
| affiliation: "University of Manchester (UOM)" | ||
| family-names: "Goble" | ||
| given-names: "Carole" | ||
| orcid: "https://orcid.org/0000-0003-1219-2137" | ||
| - | ||
| affiliation: "Barcelona Supercomputing Center (BSC)" | ||
| family-names: "Lezzi" | ||
| given-names: "Daniele" | ||
| orcid: "https://orcid.org/0000-0001-5081-7244" | ||
| - | ||
| affiliation: "Barcelona Supercomputing Center (BSC)" | ||
| family-names: "Rosa M" | ||
| given-names: "Badia" | ||
| orcid: "https://orcid.org/0000-0003-2941-5499" | ||
| - | ||
| affiliation: "Institute for Research in Biomedicine (IRB Barcelona), University of Barcelona (UB)" | ||
| family-names: "Orozco" | ||
| given-names: "Modesto" | ||
| orcid: "https://orcid.org/0000-0002-8608-3278" | ||
| - | ||
| affiliation: "Barcelona Supercomputing Center (BSC), University of Barcelona (UB)" | ||
| family-names: "Gelpí" | ||
| given-names: "Josep Ll." | ||
| orcid: "https://orcid.org/0000-0002-0566-7723" | ||
| email: "[email protected]" | ||
|
|
||
| cff-version: "1.2.0" | ||
| date-released: "2019-09-10" | ||
| - affiliation: Barcelona Supercomputing Center (BSC) | ||
| family-names: Andrio | ||
| given-names: Pau | ||
| orcid: https://orcid.org/0000-0003-2116-3880 | ||
| - affiliation: Institute for Research in Biomedicine (IRB Barcelona) | ||
| family-names: Hospital | ||
| given-names: Adam | ||
| orcid: https://orcid.org/0000-0002-8291-8071 | ||
| - affiliation: Institute for Research in Biomedicine (IRB Barcelona) | ||
| family-names: Bayarri | ||
| given-names: Genís | ||
| orcid: https://orcid.org/0000-0003-0513-0288 | ||
| - affiliation: Institute for Research in Biomedicine (IRB Barcelona) | ||
| family-names: García | ||
| given-names: Agustín | ||
| orcid: https://orcid.org/0009-0002-2159-965X | ||
| - affiliation: Institute for Research in Biomedicine (IRB Barcelona), University | ||
| of Barcelona (UB) | ||
| family-names: Orozco | ||
| given-names: Modesto | ||
| orcid: https://orcid.org/0000-0002-8608-3278 | ||
| - affiliation: Barcelona Supercomputing Center (BSC), University of Barcelona (UB) | ||
| family-names: Gelpí | ||
| given-names: Josep Ll. | ||
| orcid: https://orcid.org/0000-0002-0566-7723 | ||
| email: [email protected] | ||
| cff-version: 1.2.0 | ||
| date-released: 2019-09-10 | ||
| keywords: | ||
| - "BioExcel" | ||
| - "BioBB" | ||
| - "Bioinformatics" | ||
| - "Computational Biology" | ||
| - "Biomolecular Workflows" | ||
| license: "Apache-2.0" | ||
| message: "If you use this software, please cite it using these metadata." | ||
| repository-code: "https://github.com/bioexcel/biobb" | ||
| title: "BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows" | ||
| - BioExcel | ||
| - BioBB | ||
| - Bioinformatics | ||
| - Computational Biology | ||
| - Biomolecular Workflows | ||
| license: Apache-2.0 | ||
| message: If you use this dataset, please cite it using the metadata from this file. | ||
| repository-code: https://github.com/bioexcel/biobb | ||
| title: BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows | ||
| preferred-citation: | ||
| type: article | ||
| authors: | ||
| - affiliation: Barcelona Supercomputing Center (BSC) | ||
| family-names: Andrio | ||
| given-names: Pau | ||
| orcid: https://orcid.org/0000-0003-2116-3880 | ||
| - affiliation: Institute for Research in Biomedicine (IRB Barcelona) | ||
| family-names: Hospital | ||
| given-names: Adam | ||
| orcid: https://orcid.org/0000-0002-8291-8071 | ||
| - affiliation: Barcelona Supercomputing Center (BSC) | ||
| family-names: Conejero | ||
| given-names: Javier | ||
| orcid: https://orcid.org/0000-0001-6401-6229 | ||
| - affiliation: Barcelona Supercomputing Center (BSC) | ||
| family-names: Jordà | ||
| given-names: Luis | ||
| orcid: https://orcid.org/0000-0002-9407-9703 | ||
| - affiliation: Barcelona Supercomputing Center (BSC) | ||
| family-names: Del Pino | ||
| given-names: Marc | ||
| orcid: https://orcid.org/0000-0001-5565-7577 | ||
| - affiliation: Barcelona Supercomputing Center (BSC) | ||
| family-names: Laia | ||
| given-names: Codó | ||
| orcid: https://orcid.org/0000-0002-6797-8746 | ||
| - affiliation: University of Manchester (UOM) | ||
| family-names: Soiland-Reyes | ||
| given-names: Stian | ||
| orcid: https://orcid.org/0000-0001-9842-9718 | ||
| - affiliation: University of Manchester (UOM) | ||
| family-names: Goble | ||
| given-names: Carole | ||
| orcid: https://orcid.org/0000-0003-1219-2137 | ||
| - affiliation: Barcelona Supercomputing Center (BSC) | ||
| family-names: Lezzi | ||
| given-names: Daniele | ||
| orcid: https://orcid.org/0000-0001-5081-7244 | ||
| - affiliation: Barcelona Supercomputing Center (BSC) | ||
| family-names: Badia | ||
| given-names: Rosa M | ||
| orcid: https://orcid.org/0000-0003-2941-5499 | ||
| - affiliation: Institute for Research in Biomedicine (IRB Barcelona), University | ||
| of Barcelona (UB) | ||
| family-names: Orozco | ||
| given-names: Modesto | ||
| orcid: https://orcid.org/0000-0002-8608-3278 | ||
| - affiliation: Barcelona Supercomputing Center (BSC), University of Barcelona (UB) | ||
| family-names: Gelpí | ||
| given-names: Josep Ll. | ||
| orcid: https://orcid.org/0000-0002-0566-7723 | ||
| email: [email protected] | ||
| doi: 10.1038/s41597-019-0177-4 | ||
| journal: Nature Scientific Data | ||
| month: 9 | ||
| start: 169 | ||
| title: BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows | ||
| issue: 1 | ||
| volume: 6 | ||
| year: 2019 |