August 9, 2021 Presentation Open Access

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

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  <identifier identifierType="DOI">10.5281/zenodo.5172174</identifier>
  <creators>
    <creator>
      <creatorName>Horton, Joshua</creatorName>
      <givenName>Joshua</givenName>
      <familyName>Horton</familyName>
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      <affiliation>Newcastle University</affiliation>
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    <creator>
      <creatorName>Cole, Daniel</creatorName>
      <givenName>Daniel</givenName>
      <familyName>Cole</familyName>
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      <affiliation>Newcastle University</affiliation>
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    <creator>
      <creatorName>Anwar, Jamshed</creatorName>
      <givenName>Jamshed</givenName>
      <familyName>Anwar</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0003-1721-0330</nameIdentifier>
      <affiliation>Lancaster University</affiliation>
    </creator>
    <creator>
      <creatorName>Boothroyd, Simon</creatorName>
      <givenName>Simon</givenName>
      <familyName>Boothroyd</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-3456-1872</nameIdentifier>
      <affiliation>Boothroyd Scientific Consulting</affiliation>
    </creator>
    <creator>
      <creatorName>Mobley, David</creatorName>
      <givenName>David</givenName>
      <familyName>Mobley</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0002-1083-5533</nameIdentifier>
      <affiliation>University of California Irvine</affiliation>
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    <creator>
      <creatorName>Wagner, Jeffrey</creatorName>
      <givenName>Jeffrey</givenName>
      <familyName>Wagner</familyName>
      <nameIdentifier nameIdentifierScheme="ORCID" schemeURI="http://orcid.org/">0000-0001-6448-0873</nameIdentifier>
      <affiliation>University of California Irvine</affiliation>
    </creator>
  </creators>
  <titles>
    <title>Open Force Field Bespoke-Fit Update 2021</title>
  </titles>
  <publisher>Zenodo</publisher>
  <publicationYear>2021</publicationYear>
  <subjects>
    <subject>Open Force Field Initiative</subject>
    <subject>Force Field</subject>
    <subject>OpenFF BespokeFit</subject>
    <subject>OpenFF Toolkit</subject>
    <subject>Parameter optimizaton</subject>
  </subjects>
  <dates>
    <date dateType="Issued">2021-08-09</date>
  </dates>
  <language>en</language>
  <resourceType resourceTypeGeneral="Text">Presentation</resourceType>
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    <relatedIdentifier relatedIdentifierType="DOI" relationType="IsVersionOf">10.5281/zenodo.5172173</relatedIdentifier>
    <relatedIdentifier relatedIdentifierType="URL" relationType="IsPartOf">https://zenodo.org/communities/openforcefield</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;A progress update on the OpenFF-BespokeFit package&amp;nbsp;was delivered to the Open Force Field Initiative advisory board.&lt;/p&gt;</description>
  </descriptions>
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