pka solver stops running on large librairies of compounds

[Tonylac77]

Hi,

I've been trying to run pka solver (calculate microstates function) on a fairly large dataset of compounds (>1000). Unfortunately, it seems the function simply stops running after a while. Other similarly large datasets give the same problem, and stop after a seemingly random amount of compounds, with no error message.

Happy to share the code I'm using if that is helpful.

Cheers