Dataset Open Access

D1.4 release of BioExcel QM/MM Benchmark Suite

Arno Proeme; Holly Judge; Salome Llabres Prat; Dmitry Morovoz; Modi Vaibhav; Emiliano Ippoliti


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  <dc:creator>Arno Proeme</dc:creator>
  <dc:creator>Holly Judge</dc:creator>
  <dc:creator>Salome Llabres Prat</dc:creator>
  <dc:creator>Dmitry Morovoz</dc:creator>
  <dc:creator>Modi Vaibhav</dc:creator>
  <dc:creator>Emiliano Ippoliti</dc:creator>
  <dc:date>2020-06-08</dc:date>
  <dc:description>D1.4 release snapshot of the BioExcel QM/MM benchmark suite hosted at https://github.com/bioexcel/qmmm_benchmark_suite

 </dc:description>
  <dc:identifier>https://zenodo.org/record/3885124</dc:identifier>
  <dc:identifier>10.5281/zenodo.3885124</dc:identifier>
  <dc:identifier>oai:zenodo.org:3885124</dc:identifier>
  <dc:relation>doi:10.5281/zenodo.3885123</dc:relation>
  <dc:relation>url:https://zenodo.org/communities/bioexcel</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:subject>CP2K</dc:subject>
  <dc:subject>GROMACS</dc:subject>
  <dc:subject>QM/MM</dc:subject>
  <dc:title>D1.4 release of BioExcel QM/MM Benchmark Suite</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>dataset</dc:type>
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