mol2grid.display slow for a large number of compounds
RMeli opened this issue · comments
I applied mol2grid.display to a pd.DataFrame storing the VEHICLe data set, which contains ~25k samples, and the call does not seem to terminate after a reasonable time (for a 6x6 grid). I tried to stop the Jupyter cell execution after ~600s but did not work and I had to kill the entire notebook.
Offline discussion with @cbouy : the bottleneck is probabluy image generation for the whole data set and it would be nice to have the option to perform image generation on page load.
Thanks for addressing this @cbouy ! Works great with 691 pages, 6x6 compounds per page! =)