wiederm / endstate_correction

Endstate corrections from MM to QML potential

Home Page:https://wiederm.github.io/endstate_correction/

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First pre-release candidate

wiederm opened this issue · comments

I think it might be time to cut our first pre-release candidate.
The package is stable as far as I can tell, we have performed sampling and endstate corrections
for the HiPen dataset and what we called internally JCTC dataset.

Are there things that we should add or remove before we cut a release?

Cut a pre-release version v0.1