Use Interactive Plots

Use this guide when you want to generate the Bokeh-based interactive posterior plot.

Install plotting support

The interactive 2D plot requires the plotting extra:

pip install "psma[plotting]"

If you want hover molecule depictions from SMILES, RDKit must also be available.

Generate the interactive plot

The package provides plot_posterior_2d_interactive(...) in psma.plot.

The NCATS-sol plotting tutorial shows the full path:

See Plot NCATS-sol.

What the interactive plot adds

  • legend-toggle layers

  • posterior heatmap

  • posterior contour hover

  • molecule-point hover metadata

  • optional RDKit-rendered hover structures

Common failure mode

If Bokeh is not installed, the interactive helper raises a clear ImportError telling you to install the plotting extra.