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Releases: OpenFreeEnergy/alchemiscale.org-deployment

2024.12.04-0 : `feflow` v0.1.1 and `alchemiscale` v0.5.3 in `root` deployment

04 Dec 16:34
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feflow v0.1.1 features energy minimization in its simulation ProtocolUnits for the NonEquilibriumCyclingProtocol, critical for use with alchemiscale-fah. alchemiscale v0.5.3 features a fix to Protocol filtering in the SynchronousComputeService, critical for running non-FAH Protocols alongside FAH Protocols.

What's Changed

  • Including feflow 0.1.1 in root deployment envs by @dotsdl in #5

Full Changelog: 2024.11.25-0...2024.12.04-0

alchemiscale-fah v0.1.1 - `root` deployment

26 Nov 00:13
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alchemiscale-fah v0.1.1 (https://github.com/OpenFreeEnergy/alchemiscale-fah/releases/tag/v0.1.1) features an important hotfix due to a change in alchemiscale v0.5.2. This release deploys alchemiscale-fah v0.1.1 to the root deployment.

alchemiscale v0.5.2 - `root` deployment

22 Nov 18:26
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This is the first deployment to the root instance from this repository. It features alchemiscale v0.5.2, openfe v1.2.0, and gufe v1.1.0. It also features alchemiscale-fah v0.1.0.

See root for more details on usage.

Full Changelog: https://github.com/OpenFreeEnergy/alchemiscale.org-deployment/commits/2024.11.21-0