Presentation Open Access

Open Force Field Bespoke-Fit Update 2021

Horton, Joshua; Cole, Daniel; Anwar, Jamshed; Boothroyd, Simon; Mobley, David; Wagner, Jeffrey


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  <dc:creator>Horton, Joshua</dc:creator>
  <dc:creator>Cole, Daniel</dc:creator>
  <dc:creator>Anwar, Jamshed</dc:creator>
  <dc:creator>Boothroyd, Simon</dc:creator>
  <dc:creator>Mobley, David</dc:creator>
  <dc:creator>Wagner, Jeffrey</dc:creator>
  <dc:date>2021-08-09</dc:date>
  <dc:description>A progress update on the OpenFF-BespokeFit package was delivered to the Open Force Field Initiative advisory board.</dc:description>
  <dc:identifier>https://zenodo.org/record/5172174</dc:identifier>
  <dc:identifier>10.5281/zenodo.5172174</dc:identifier>
  <dc:identifier>oai:zenodo.org:5172174</dc:identifier>
  <dc:language>eng</dc:language>
  <dc:relation>doi:10.5281/zenodo.5172173</dc:relation>
  <dc:relation>url:https://zenodo.org/communities/openforcefield</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>Open Force Field Initiative</dc:subject>
  <dc:subject>Force Field</dc:subject>
  <dc:subject>OpenFF BespokeFit</dc:subject>
  <dc:subject>OpenFF Toolkit</dc:subject>
  <dc:subject>Parameter optimizaton</dc:subject>
  <dc:title>Open Force Field Bespoke-Fit Update 2021</dc:title>
  <dc:type>info:eu-repo/semantics/lecture</dc:type>
  <dc:type>presentation</dc:type>
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