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Releases: OpenFreeEnergy/alchemiscale-fah

Release v0.1.1 - hotfixes due to `alchemiscale` 0.5.2 changes

26 Nov 00:01
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alchemiscale 0.5.2 saw removal of the alchemiscale.keyedchain module, which was upstreamed to gufe in gufe.tokenization. We used KeyedChains here for serialization, so importing from alchemiscale broke with the latest release.

What's Changed

  • Hotfixes following alchemiscale 0.5.2 release by @dotsdl in #19

Full Changelog: v0.1.0...v0.1.1

Release v0.1.0

12 Nov 07:02
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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