Releases: OpenFreeEnergy/alchemiscale-fah
Releases · OpenFreeEnergy/alchemiscale-fah
Release v0.1.1 - hotfixes due to `alchemiscale` 0.5.2 changes
alchemiscale
0.5.2 saw removal of the alchemiscale.keyedchain
module, which was upstreamed to gufe
in gufe.tokenization
. We used KeyedChain
s here for serialization, so importing from alchemiscale
broke with the latest release.
What's Changed
Full Changelog: v0.1.0...v0.1.1
Release v0.1.0
This marks the first release of alchemiscale-fah
, offering MVP support Folding@Home as an alchemiscale
compute resource. All components are deployable and usable, but there are certainly rough edges and insufficient documentation. These will be addressed over subsequent releases.
What's Changed
- Added Docker image build and deployment by @dotsdl in #10
- Client for FAH resources, reference implementation for compute service by @dotsdl in #7
- Update test env to use
openmmforcefields
0.14.1 by @dotsdl in #11 - Performing live tests against
alchemiscale
0.5.0-beta.1 by @dotsdl in #12
New Contributors
Full Changelog: https://github.com/OpenFreeEnergy/alchemiscale-fah/commits/v0.1.0