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
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