David L. Dotson
David L. Dotson
Just realized that we have to graft `datreant.data.agglimbs.AggData` onto `Bundle` and `View`, as well as `datreant.data.limbs.Data` onto `Tree` if we want to maintain the full `data` functionality. We do this...
Yeah, `AggData` is for `Bundle`s (and `View`s), while `Data` is for `Treant`s (and `Tree`s). I think what I'll do is subclass `Bundle` from `datreant` and graft `AggData` onto it, then...
No worries, I can handle this. I often get stuck in the mud when I know what my needs are (*not MDSynthesis*), but don't know what users expect to keep...
@ianmkenney and I are looking into these failures now @mikemhenry, @richardjgowers; the good news is that I think we encountered something like this before, so will report back once we've...
Think I may have fixed the problem you encountered @mikemhenry; see notes in 328aa66.
@ianmkenney will lead the charge here on getting `openfe` and `gufe` 1.0 through QA on alchemiscale.org. Thanks @mikemhenry for getting us started here!
Reviewing this next!
In addition, we should ensure we are using `KeyedChain`-based serialization and deserialization for `ProtocolDAGResult`s, with compression on top of this once serialized into JSON.
Thanks so much for this @mattwthompson! Sorry it took me so long to merge your PR; it fell off my radar until now. Will check to see if this problem...
@ianmkenney our use of the (a)LRU cache there is rather crude, since usages of `AlchemiscaleClient.get_network_results` (a method commonly used by users to pull all results for a network) uses a...