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BioExcel Deliverable 2.3 - User Feedback and Future Roadmap

Hospital, Adam; Gelpí, Josep Lluís; Dianes, Jose A.; Andrio, Pau; White, Darren J.; Ippoliti, Emiliano; Melquiond, Adrien; Gapsys, Vytautas


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    <creator>
      <creatorName>Hospital, Adam</creatorName>
      <givenName>Adam</givenName>
      <familyName>Hospital</familyName>
      <affiliation>IRB Barcelona</affiliation>
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    <creator>
      <creatorName>Gelpí, Josep Lluís</creatorName>
      <givenName>Josep Lluís</givenName>
      <familyName>Gelpí</familyName>
      <affiliation>Barcelona Supercomputing Centre</affiliation>
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    <creator>
      <creatorName>Dianes, Jose A.</creatorName>
      <givenName>Jose A.</givenName>
      <familyName>Dianes</familyName>
      <affiliation>EMBL-EBI</affiliation>
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    <creator>
      <creatorName>Andrio, Pau</creatorName>
      <givenName>Pau</givenName>
      <familyName>Andrio</familyName>
      <affiliation>Barcelona Supercomputing Centre</affiliation>
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    <creator>
      <creatorName>White, Darren J.</creatorName>
      <givenName>Darren J.</givenName>
      <familyName>White</familyName>
      <affiliation>EPCC</affiliation>
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    <creator>
      <creatorName>Ippoliti, Emiliano</creatorName>
      <givenName>Emiliano</givenName>
      <familyName>Ippoliti</familyName>
      <affiliation>FZ Juelich</affiliation>
    </creator>
    <creator>
      <creatorName>Melquiond, Adrien</creatorName>
      <givenName>Adrien</givenName>
      <familyName>Melquiond</familyName>
      <affiliation>Universiteit Utrecht</affiliation>
    </creator>
    <creator>
      <creatorName>Gapsys, Vytautas</creatorName>
      <givenName>Vytautas</givenName>
      <familyName>Gapsys</familyName>
      <affiliation>Max Planck Institute</affiliation>
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  <titles>
    <title>BioExcel Deliverable 2.3 - User Feedback and Future Roadmap</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2017</publicationYear>
  <subjects>
    <subject>Workflows</subject>
    <subject>Feedback</subject>
    <subject>Pilot Use Cases</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2017-11-20</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Text">Journal article</resourceType>
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    <alternateIdentifier alternateIdentifierType="url">https://zenodo.org/record/1060946</alternateIdentifier>
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  <relatedIdentifiers>
    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.1060945</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/bioexcel</relatedIdentifier>
  </relatedIdentifiers>
  <rightsList>
    <rights rightsURI="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 International</rights>
    <rights rightsURI="info:eu-repo/semantics/openAccess">Open Access</rights>
  </rightsList>
  <descriptions>
    <description descriptionType="Abstract">&lt;p&gt;This deliverable presents the first internal (partners) and external (collaborators, users) feedback for the transversal workflow Model Protein Mutants and for the project pilot use cases. The transversal workflow, used as a prototype to test the designed workflows development process in the project and also the computational infrastructure, has been the main source of feedback. An update of the technical work behind the five project pilot use cases is given, emphasizing the feedback received.&lt;/p&gt;

&lt;p&gt;Future roadmaps for the BioExcel Cloud Portal and for the workflows and computational infrastructures are presented, which showcase the work planned for the rest of the project. User experience will be the main focus for the cloud portal that is expected to offer a growing number of tools and deployable VMs in the coming months. Two kinds of benchmarks, a technical one (different computational infrastructures) and a scientific one (real scientific studies in an HPC exascale approach) are proposed using the transversal workflow.&lt;/p&gt;</description>
  </descriptions>
  <fundingReferences>
    <fundingReference>
      <funderName>European Commission</funderName>
      <funderIdentifier funderIdentifierType="Crossref Funder ID">10.13039/501100000780</funderIdentifier>
      <awardNumber awardURI="info:eu-repo/grantAgreement/EC/H2020/675728/">675728</awardNumber>
      <awardTitle>Centre of Excellence for Biomolecular Research</awardTitle>
    </fundingReference>
  </fundingReferences>
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