Presentation Open Access
Horton, Joshua;
Cole, Daniel;
Anwar, Jamshed;
Boothroyd, Simon;
Mobley, David;
Wagner, Jeffrey
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rdf:about="http://orcid.org/0000-0001-6448-0873"> <rdf:type rdf:resource="http://xmlns.com/foaf/0.1/Agent"/> <dct:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string">0000-0001-6448-0873</dct:identifier> <foaf:name>Wagner, Jeffrey</foaf:name> <foaf:givenName>Jeffrey</foaf:givenName> <foaf:familyName>Wagner</foaf:familyName> <org:memberOf> <foaf:Organization> <foaf:name>University of California Irvine</foaf:name> </foaf:Organization> </org:memberOf> </rdf:Description> </dct:creator> <dct:title>Open Force Field Bespoke-Fit Update 2021</dct:title> <dct:publisher> <foaf:Agent> <foaf:name>Zenodo</foaf:name> </foaf:Agent> </dct:publisher> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#gYear">2021</dct:issued> <dcat:keyword>Open Force Field Initiative</dcat:keyword> <dcat:keyword>Force Field</dcat:keyword> <dcat:keyword>OpenFF BespokeFit</dcat:keyword> <dcat:keyword>OpenFF Toolkit</dcat:keyword> <dcat:keyword>Parameter optimizaton</dcat:keyword> <dct:issued rdf:datatype="http://www.w3.org/2001/XMLSchema#date">2021-08-09</dct:issued> <dct:language rdf:resource="http://publications.europa.eu/resource/authority/language/ENG"/> <owl:sameAs rdf:resource="https://zenodo.org/record/5172174"/> <adms:identifier> <adms:Identifier> <skos:notation rdf:datatype="http://www.w3.org/2001/XMLSchema#anyURI">https://zenodo.org/record/5172174</skos:notation> <adms:schemeAgency>url</adms:schemeAgency> </adms:Identifier> </adms:identifier> <dct:isVersionOf rdf:resource="https://doi.org/10.5281/zenodo.5172173"/> <dct:isPartOf rdf:resource="https://zenodo.org/communities/openforcefield"/> <dct:description><p>A progress update on the OpenFF-BespokeFit package&nbsp;was delivered to the Open Force Field Initiative advisory board.</p></dct:description> <dct:accessRights rdf:resource="http://publications.europa.eu/resource/authority/access-right/PUBLIC"/> <dct:accessRights> <dct:RightsStatement rdf:about="info:eu-repo/semantics/openAccess"> <rdfs:label>Open 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