This PR adds the 2D torsion drive visualization from the 2024 SMIRNOFF workshop (gist here) to the existing retrieving-results.ipynb example. This was a pretty small change but also required adding plotly and nglview as dependencies in the CI environments and updating a little bit of the prose in the example.
Todos
Notable points that this PR has either accomplished or will accomplish.
Description
This PR adds the 2D torsion drive visualization from the 2024 SMIRNOFF workshop (gist here) to the existing
retrieving-results.ipynb
example. This was a pretty small change but also required addingplotly
andnglview
as dependencies in the CI environments and updating a little bit of the prose in the example.Todos
Notable points that this PR has either accomplished or will accomplish.
Status