make plotmol take in categories

[JenkeScheen]

This PR enables plotting in asap-alchemy predict using categories. This is useful because now we can split a scatterplot (bokeh) by e.g. MoleculeSet. Some quick things to resolve (@jthorton let's discuss):

• I'm not sure how ligand names are fed through to show on hover. How can we do this in https://github.com/choderalab/asapdiscovery/pull/902/files#diff-2c6504537d692ede517731411104bfc35ecf6c2d78762d4e558da83c9a6a2b44R690?
• I'm failing to feed xy labels as kwargs. Any ideas how to do this? Looks like plotmol overwrites the labels somehow: https://github.com/choderalab/asapdiscovery/pull/902/files#diff-2c6504537d692ede517731411104bfc35ecf6c2d78762d4e558da83c9a6a2b44R698

One caveat to this approach is that uncertainty whiskers don't disappear when a category is hidden (using the legend). Can fix that in a later iteration!

Status

• Ready to go

Developers certificate of origin

• I certify that this contribution is covered by the MIT license as defined in our LICENSE and adheres to the Developer Certificate of Origin.

[codecov-commenter]

Codecov Report

Merging #902 (e33fdee) into main (cf611d1) will decrease coverage by 0.04%.
The diff coverage is 40.00%.

Additional details and impacted files

[hmacdope]

@jthorton would you mind giving this a review?