Oliver Beckstein
Oliver Beckstein
> I don't believe it's fair to be listed as a co-author for such a tiny contribution! @mohebifar , my opinion for software papers is that anyone who makes a...
Sorry everyone, been occupied with other things. No firm promises on when this JOSS paper is going to happen, but will happen eventually (preferrably in 2019).
Ok, I'd be happy to integrate a patch!
Joao M. Damas suggested on gmx-users (24 Oct 2014) [numerical matrix from xpm file](https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2014-October/093177.html) that the next line should read: ``` python data[:, iy] = [colors[j[k:k+nb]] for k in range(0,nx*nb,nb)]...
You're probably aware of @xiki-tempula 's implementation of "[AutoMBAR](https://alchemlyb.readthedocs.io/en/latest/estimators/alchemlyb.estimators.MBAR.html#alchemlyb.estimators.AutoMBAR)" in alchemlyb. He did the testing and ultimately came up with the rationale for the order of methods that are tried.
Not sure if needed but our [GromacsWrapper](https://github.com/Becksteinlab/GromacsWrapper) is carrying around [numkit.timeseries](http://gromacswrapper.readthedocs.io/en/latest/numkit/timeseries.html), which could easily find a new home anywhere. (Some of it is used for plotting as in [gromacs.core.fileformats.XVG](http://gromacswrapper.readthedocs.io/en/latest/gromacs/core/fileformats/xvg.html#examples)).
Note that when we remove 3.7, we will not be able to use alchemlyb in Google Colab. What does pymbar 3.x support?
... and awesome, it's _your_ contribution to pandas. Well done!
We'll have to **deprecate** `alchemlyb.concat` and then remove one or two releases in the future.