Presentation Open Access

Open Force Field Bespoke-Fit Update 2021

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


JSON-LD (schema.org) Export

{
  "inLanguage": {
    "alternateName": "eng", 
    "@type": "Language", 
    "name": "English"
  }, 
  "description": "<p>A progress update on the OpenFF-BespokeFit package&nbsp;was delivered to the Open Force Field Initiative advisory board.</p>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Newcastle University", 
      "@id": "https://orcid.org/0000-0001-8694-7200", 
      "@type": "Person", 
      "name": "Horton, Joshua"
    }, 
    {
      "affiliation": "Newcastle University", 
      "@id": "https://orcid.org/0000-0003-2933-0719", 
      "@type": "Person", 
      "name": "Cole, Daniel"
    }, 
    {
      "affiliation": "Lancaster University", 
      "@id": "https://orcid.org/0000-0003-1721-0330", 
      "@type": "Person", 
      "name": "Anwar, Jamshed"
    }, 
    {
      "affiliation": "Boothroyd Scientific Consulting", 
      "@id": "https://orcid.org/0000-0002-3456-1872", 
      "@type": "Person", 
      "name": "Boothroyd, Simon"
    }, 
    {
      "affiliation": "University of California Irvine", 
      "@id": "https://orcid.org/0000-0002-1083-5533", 
      "@type": "Person", 
      "name": "Mobley, David"
    }, 
    {
      "affiliation": "University of California Irvine", 
      "@id": "https://orcid.org/0000-0001-6448-0873", 
      "@type": "Person", 
      "name": "Wagner, Jeffrey"
    }
  ], 
  "url": "https://zenodo.org/record/5172174", 
  "datePublished": "2021-08-09", 
  "keywords": [
    "Open Force Field Initiative", 
    "Force Field", 
    "OpenFF BespokeFit", 
    "OpenFF Toolkit", 
    "Parameter optimizaton"
  ], 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.5172174", 
  "@id": "https://doi.org/10.5281/zenodo.5172174", 
  "@type": "PresentationDigitalDocument", 
  "name": "Open Force Field Bespoke-Fit Update 2021"
}
182
69
views
downloads
All versions This version
Views 182182
Downloads 6969
Data volume 78.5 MB78.5 MB
Unique views 177177
Unique downloads 6262

Share

Cite as