Closed IAlibay closed 1 month ago
pymbar is currently always used with the Protocol? So it could just be stuffed alongside the existing citations we'll add for everything
I think if there isn't a way to use the public API for a protocol without hitting pymbar, its fine to stuff on the protocol level, but if there is a way to skip using it, then we will need that granularity.
In the case of pymbar, since it is a package under my maintenance umbrella, we can upstream duecredit support (at least for pymbar4).
We should add those when we call
multistate_analysis
or just load up from results.