Presentation Open Access

Follow-up workshop on Bespoke Fitting

Joshua Horton


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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.5495927", 
  "author": [
    {
      "family": "Joshua Horton"
    }
  ], 
  "issued": {
    "date-parts": [
      [
        2021, 
        9, 
        8
      ]
    ]
  }, 
  "abstract": "<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>", 
  "title": "Follow-up workshop on Bespoke Fitting", 
  "type": "speech", 
  "id": "5495927"
}
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