JW – I don’t think so. Caching only helps if we fetch the same thing repeatedly, I don’t the examples do that. Also fetching RECORDS is cached by default, while fetching DATASETS requires some optional arguments.
openff-2.2.1-rc1 coming soon (some fixes to make linear angles linear, and other assorted goodies). Full release could be in the next few weeks.
I’m working on updating ForceBalance to use modern deps, some trickiness with getting CI passing again. Will also try to remove hard OE dep.
We’re working on setting up CI to run on AWS using GPUs. This is primarily aimed at extending Evaluator CI (and OpenFE plans to use it heavily)