Design robust plotter for visualizing sampled space #55
Labels
enhancement
New feature or request
good first issue
Good for newcomers
help wanted
Extra attention is needed
Using the hooks setup in the existing xlsx front end,
plotter_on
option, design a robust visualization which can be triggered by the user.The code should be inserted at capture/generator/generate/ in the functions
expgen
andcpexpgen
. The visualization should focus first on the expgen code enabling a performer to see the points plotted in the chemical space (with or without an overlay of the available chemical space bounding boxes). Having an instance of this plot saved by the user available for automatic upload to google drive / storage as a default for the run would be an added feature.Long term goal would be to enable interactive plotting for visualizing multiple chemical dimensions for more complex reactivity with radio buttons or pull down menus for selecting to compounds to be plotted.
The cpexpgen is likely to large for plotting, but this would be a nice compliment to the challenge problem work.
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