Oliver Beckstein

Results 898 comments of Oliver Beckstein

@mattiafelice-palermo residence times are super-useful (we are using them for protein-lipid interactions https://github.com/Becksteinlab/basicrta ). If you have code that makes it easy to calculate them in various contexts then I'd...

Btw, I do like your example code a lot, it does look like a useful basic building block for analysis tools.

I’m proposing to remove the vendored code and replace it with an import of the (slightly more) modern transformations package. That’s easier than updating the vendored code. Eventually we might...

Closed with PR #5068. (We can removed the vendored code later.)

contributions to the PR are welcome!

Where are you with the update that you mentioned @IAlibay ?

@yuxuanzhuang if you want to do a quick minimal update to the instructions then we can at least get a quick-fix into the user guide. This PR already introduces mamba;...

@yuxuanzhuang @RMeli we do need this PR to be merged so that we have some instructions for the hackathon. (Ideally we also get a release of the User Guide but...

And all tests pass ``` ============= 19681 passed, 104 skipped, 12 xfailed, 2 xpassed, 47710 warnings in 473.45s (0:07:53) ============= ``` so I am going to merge. Thanks for the...