Plotting changes to use CVD-friendly colors and correct split subset distances

ATOMScience-org / AMPL

The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

MIT License

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Plotting changes to use CVD-friendly colors and correct split subset distances #294

Closed mcloughlin2 closed 6 months ago

mcloughlin2 commented 6 months ago

Changes to plotting functions in perf_plots, split_response_dist_plots and compare_splits_plots modules for two purposes:

Make sure that semantic colors are distinguishable by users with color vision deficiency (CVD).
Change Tanimoto distances in compare_splits_plots from one per training compound to one per validation or test compound.

Also update tutorials 3 and 9 to generate plots with new code.