Zhiyi Wu

@orbeckst Thanks very much for the review. Sorry for the delay. I have addressed all the issues.

@orbeckst Thanks for the review. I have checked that the reference could be resolved.

@orbeckst I suspect this is a codecov glitch. Locally, pycharm told me that this line has been covered.

It is really weird. Locally, the ABFE workflow is 100% coverage.

I don't know much about amber but I don't think subsampling/equilibrium detection will be an issue. The reason for subsampling is that the estimator needs decorrelated data, if one does...

Thanks for reporting. It seems to me that this is a pymbar 4 issue. I wonder if you are using pymbar4? As is mentioned in #207, we currently don't support...

@jinfeng-data I see. I guess the issue is the other way around then. I think if you install the latest version of pymbar 3, it should work. I would recommend...

This is an annoying pymbar issue. You might want to try the alchemlyb.estimators.AutoMBAR

The package was started a long time ago and various functions are added by various people across a very long period so the logging/exception/warning is not set up in a...

@evaleev This is how I solve the problem. Yoy don't need to install Eigen3 but you still to cmake it. For me this means ``` cd eigen-3.4.0 mkdir build cd...