Zhiyi Wu

I do agree that the information is redundant, you only need G_i - G_{i-1} and can then construct all the dG out of it. I think one reason that we...

@orbeckst Sorry we are not able to make the alchemlyb (includes pymbar and thus jax) and alchemlyb-core (depends on pymbar-core and no jax) to work. My attempt: https://github.com/conda-forge/alchemlyb-feedstock/pull/24 Attempt by...

@orbeckst Are you happy for me to merge the conda-forge PR? We could then change the documentation.

Remove the py3.12 support now. I will add the py3.12 support in another PR, where I think I will update the versioneer. I would hope to do the same sort...

Thanks for reporting the error. I wonder if I could have your input file? Thanks. > Additionally, the version installed via pip does not include the abfe workflow and is...

It is quite a big speed up. Assume that we have 64 lambda windows where each one has 6251 time points. On a 64 core instance, the read goes from...

Apparently `joblib` is a dependency of `scikit-learn`, which is our dependency. So we would always have joblib in our env.

@dotsdl I think you can just commit to the branch. But it would be nice to keep the commit history simple so there won't be a millions of fix typo...

@dotsdl Do you have any thing to add. I will try to do another update on this later this month.

@dotsdl @orbeckst Finally had some time to work on this during the Xmas. The word count should be between 250-1000 and we are currently roughly 900. Do you guys mind...