Releases: OpenFreeEnergy/alchemiscale.org-deployment
2024.12.04-0 : `feflow` v0.1.1 and `alchemiscale` v0.5.3 in `root` deployment
feflow
v0.1.1 features energy minimization in its simulation ProtocolUnit
s 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 Protocol
s alongside FAH Protocol
s.
What's Changed
Full Changelog: 2024.11.25-0...2024.12.04-0
alchemiscale-fah v0.1.1 - `root` deployment
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
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