Presentation Open Access

Follow-up workshop on Bespoke Fitting

Joshua Horton


JSON-LD (schema.org) Export

{
  "description": "<p>Based on polling&nbsp;at the OpenFF annual workshop in May 2021 [1], audience members were&nbsp;interested in attending a dedicated session about the upcoming infrastructure to derive and apply &quot;bespoke&quot; parameters to input molecules. This session was held on September 8, 2021. The first ~20 minutes is a presentation, and the next 40 minutes walks through an interactive&nbsp;jupyter notebook [2] showcasing the features and capabilities of the bespoke fitting workflow.</p>\n\n<p>[1] https://doi.org/10.5281/zenodo.4950030</p>\n\n<p>[2]&nbsp;https://github.com/openforcefield/2021-bespokefit-workshop/tree/2021.09.07.0</p>", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "creator": [
    {
      "affiliation": "Newcastle University and Open Force Field", 
      "@id": "https://orcid.org/0000-0001-8694-7200", 
      "@type": "Person", 
      "name": "Joshua Horton"
    }
  ], 
  "url": "https://zenodo.org/record/5495927", 
  "datePublished": "2021-09-08", 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.5495927", 
  "@id": "https://doi.org/10.5281/zenodo.5495927", 
  "@type": "PresentationDigitalDocument", 
  "name": "Follow-up workshop on Bespoke Fitting"
}
142
74
views
downloads
All versions This version
Views 142142
Downloads 7474
Data volume 804.8 MB804.8 MB
Unique views 134134
Unique downloads 6767

Share

Cite as