Christian Margreitter

Hej, currently, that's not on our agenda but it's worth a thought for future reference. Will keep this one open until we have brought the repo to a solid state....

Hi Evert, Thanks for using our tools. This is indeed not something that should happen if you are using the normal environment. I see that you are trying to execute...

Hi Evert, Yes, that's to be expected since Ligprep and Glide cannot be initialized. That brings me back to the question how you load them when you call them normally...

Hi both, thanks for the quick reply! I tried the hack with setting `force_no_jax` to `True` and I can confirm that this solves the issue. Total execution time is a...