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wjm41 / molplotly

add-on to plotly which show molecule images on mouseover!
Apache License 2.0
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Added reaction drawing support and svg size options for reactions #25

Closed ipendlet closed 1 year ago

ipendlet commented 1 year ago

A nice feature addition would be the ability to visualize reaction performance and see the content of an entire reaction. This is easily supported by rdkit. The relevant code and the flexibility around the svg specification was added.

wjm41 commented 1 year ago

Looks good to me! If you could include a short example notebook showing it in use, that would be great :)

ipendlet commented 1 year ago

@wjm41 I made the requested change and include a way to use the current version instead of the 'heatmap' in plotly which doesn't currently work due to the list-of-lists specification. This nicely gets around that, shows off the visualization, and is actually based on real data. Huzzah.

wjm41 commented 1 year ago

Great! Thanks so much :D