Issues

• Create RetainerService for enforcing data retention policy

  component-objectstorecomponent-statestorestorage
  OpenFreeEnergy/alchemiscale#515 · Filter by author dotsdl opened on Jul 14, 2026 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s

• Handle late ProtocolDAGResult uploads from compute services with lost registrations consistently

  OpenFreeEnergy/alchemiscale#513 · Filter by author dotsdl opened on Jul 9, 2026 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s

• Hang when running replicates

  OpenFreeEnergy/alchemiscale#501 · Filter by author jaclark5 opened on Apr 16, 2026

• Add granular ProtocolDAG progress reporting by compute services

  introspection
  Feature

  OpenFreeEnergy/alchemiscale#500 · Filter by author dotsdl opened on Apr 15, 2026 · Release 1.0.0 - API stability over 1.x release series

• Switch Neo4jStore to use AsyncGraphDatabase

  component-compute-apicomponent-statestorecomponent-user-api
  OpenFreeEnergy/alchemiscale#492 · Filter by author dotsdl opened on Apr 2, 2026 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s

• Add validate kwarg to AlchemiscaleClient.create_network; use process pool if possible

  component-user-clientgood first issue
  OpenFreeEnergy/alchemiscale#490 · Filter by author dotsdl opened on Mar 17, 2026 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s
  4

• Replace nest_asyncio if possible in AlchemiscaleClient

  component-user-clientgood first issue
  OpenFreeEnergy/alchemiscale#488 · Filter by author dotsdl opened on Mar 11, 2026
  2

• Update the demo notebook

  OpenFreeEnergy/alchemiscale#475 · Filter by author IAlibay opened on Jan 6, 2026
  

• Use claim_limit in ComputeServiceSettings in ComputeManager to determine how many services allowed to be created in call to create_compute_services

  component-compute-manager
  OpenFreeEnergy/alchemiscale#465 · Filter by author dotsdl opened on Nov 21, 2025 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s

• Make data used in ComputeManager a dataclass

  component-compute-manager
  OpenFreeEnergy/alchemiscale#464 · Filter by author dotsdl opened on Nov 21, 2025 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s

• Find and use alternative to grolt for test suite

  OpenFreeEnergy/alchemiscale#448 · Filter by author dotsdl opened on Oct 27, 2025 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s

• Add an admin client/API for remote user management

  OpenFreeEnergy/alchemiscale#447 · Filter by author dotsdl opened on Oct 27, 2025 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s
  

• Add setting to user-facing API to make server read-only

  OpenFreeEnergy/alchemiscale#446 · Filter by author dotsdl opened on Oct 22, 2025 · Release 1.0.0 - API stability over 1.x release series

• Implement AsynchronousComputeService with reactive scheduling

  OpenFreeEnergy/alchemiscale#432 · Filter by author dotsdl opened on Sep 16, 2025 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s
  

• Add mechanism for introspecting progress of a ProtocolDAG as it is running

  component-compute-apicomponent-compute-clientcomponent-compute-servicecomponent-statestoreintrospection
  OpenFreeEnergy/alchemiscale#415 · Filter by author dotsdl opened on Jun 24, 2025 · Release 0.9.0 - compute introspection and user experience

• Add CLI endpoint for replacing identity key

  bugcomponent-clicomponent-statestore
  OpenFreeEnergy/alchemiscale#406 · Filter by author dotsdl opened on Apr 29, 2025 · Release 1.0.0 - API stability over 1.x release series

• Weight selection of AlchemicalNetworks for Task claiming by Transformation count?

  question
  OpenFreeEnergy/alchemiscale#393 · Filter by author dotsdl opened on Apr 1, 2025 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s
  5

  

• Add AlchemiscaleClient method for getting percentage of compute consumed currently in given Scope relative to all other Scopes at same level

  introspection
  OpenFreeEnergy/alchemiscale#389 · Filter by author dotsdl opened on Mar 18, 2025 · Release 0.9.0 - compute introspection and user experience

• Silence pickle warning for ExplicitMoleculeComponent?

  OpenFreeEnergy/alchemiscale#376 · Filter by author IAlibay opened on Mar 6, 2025
  2

• Add ProtocolUnit log preservation to compute services and object store, with reference in state store; expose via AlchemiscaleClient

  component-compute-apicomponent-compute-clientcomponent-compute-servicecomponent-objectstorecomponent-statestorecomponent-user-apicomponent-user-clientintrospection
  OpenFreeEnergy/alchemiscale#349 · Filter by author dotsdl opened on Jan 8, 2025 · Release 0.9.0 - compute introspection and user experience

• Change all AlchemiscaleClient methods to use retrieve_* instead of get_* if they return GufeTokenizables

  component-user-apicomponent-user-client
  OpenFreeEnergy/alchemiscale#348 · Filter by author dotsdl opened on Jan 7, 2025 · Release 1.0.0 - API stability over 1.x release series

• Expose ability to get stored tracebacks associated with a given Task

  introspection
  OpenFreeEnergy/alchemiscale#347 · Filter by author dotsdl opened on Jan 3, 2025 · Release 0.9.0 - compute introspection and user experience
  

• Draft and submit JOSS publication for alchemiscale

  OpenFreeEnergy/alchemiscale#345 · Filter by author dotsdl opened on Dec 10, 2024 · Release 1.0.0 - API stability over 1.x release series

• Add periodic checks by compute services that their claimed Tasks are actioned by at least one active AlchemicalNetwork; halt execution and drop claim for those Tasks that are not

  component-compute-apicomponent-compute-clientcomponent-compute-service
  OpenFreeEnergy/alchemiscale#301 · Filter by author dotsdl opened on Sep 11, 2024 · Release 0.10.0 - improved compute efficiency for parallelizable `ProtocolDAG`s
  1

  

• Retain stdout, stderr logs from ProtocolDAGResults; expose access via AlchemiscaleClient

  component-compute-apicomponent-compute-clientcomponent-compute-servicecomponent-objectstorecomponent-statestorecomponent-user-apicomponent-user-clientintrospection
  OpenFreeEnergy/alchemiscale#295 · Filter by author dotsdl opened on Aug 27, 2024 · Release 0.9.0 - compute introspection and user experience
  1