michellab / BioSimSpace

Code and resources for the EPSRC BioSimSpace project.

https://biosimspace.org

GNU General Public License v3.0

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Feat alchemlyb2 #424

Closed xiki-tempula closed 1 year ago

xiki-tempula commented 1 year ago

Is this pull request to fix a bug, or to introduce new functionality?

Making BSS compatible with alchemlyb2 as the new MBAR is the AutoMBAR

xiki-tempula commented 1 year ago

Sorry, I guess this is the wrong upstream. For some reason, I cannot make a PR to the new repo.

lohedges commented 1 year ago

Thanks. Did you make any progress with your GitHub ticket? If not, it might be easiest to delete your fork and create a new one, re-pushing your local feature branches to the new remote.

lohedges commented 1 year ago

I'll close this and add your edit to my feature branch on the OpenBioSim repo.