Alyssa Travitz

Results 8 comments of Alyssa Travitz
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I've definitely tried to do this before because it seems so intuitive. I'll work on this later this week.

> This has either been addressed or moved to other issues. > > The lack of compatibility between AT and macos-13 is an issue that will need a look at....

remove any instances where we're running openmmforcefields 13, since we're now on 14.

this is my first pass, very open to feedback @IAlibay

I think the current state is an improvement, but I intend to do more work on it as a part of the konnektor usability drive. https://github.com/OpenFreeEnergy/konnektor/issues/152

in group conversation, we discussed that this would be a good option for a cli plug-in.

@jthorton - was this addressed by https://github.com/OpenFreeEnergy/kartograf/pull/89, and if so can we close this issue?

What is the expected use-case and frequency of this runner? i.e., do you see this being used in our CI, or kept as manual-trigger only?