Make JAX optional - Githubissues

alchemistry / alchemlyb

the simple alchemistry library

https://alchemlyb.readthedocs.io

BSD 3-Clause "New" or "Revised" License

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Open xiki-tempula opened 1 year ago

xiki-tempula commented 1 year ago

Pymbar is making JAX optional with pymbar-core (no JAX) and pymbar (with JAX) https://github.com/choderalab/pymbar/issues/500

Do we want to have a similar arrangement of alchemlyb-core and alchemlyb?

orbeckst commented 1 year ago

We could, although until someone really needs the slimmer, slower *-core version, I'd say we use high-performance by default where possible.

orbeckst commented 10 months ago

Note issue #336 regarding JAX issues.