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Follow-up workshop on Bespoke Fitting

Joshua Horton


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  <dc:creator>Joshua Horton</dc:creator>
  <dc:date>2021-09-08</dc:date>
  <dc:description>Based on polling at the OpenFF annual workshop in May 2021 [1], audience members were interested in attending a dedicated session about the upcoming infrastructure to derive and apply "bespoke" 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 jupyter notebook [2] showcasing the features and capabilities of the bespoke fitting workflow.

[1] https://doi.org/10.5281/zenodo.4950030

[2] https://github.com/openforcefield/2021-bespokefit-workshop/tree/2021.09.07.0</dc:description>
  <dc:identifier>https://zenodo.org/record/5495927</dc:identifier>
  <dc:identifier>10.5281/zenodo.5495927</dc:identifier>
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  <dc:relation>doi:10.5281/zenodo.5495926</dc:relation>
  <dc:relation>url:https://zenodo.org/communities/openforcefield</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
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  <dc:title>Follow-up workshop on Bespoke Fitting</dc:title>
  <dc:type>info:eu-repo/semantics/lecture</dc:type>
  <dc:type>presentation</dc:type>
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