OpenFreeEnergy/alchemiscale-fah

Issues

• `ProjectData` returned from WS GET `/api/projects/{PROJECT_ID}` gives `timeout` and `deadline` in units of seconds, but project creation with WS PUT `/api/projects/{PROJECT_ID}` expects these fields in days

  #20 opened 2 months ago
  1

• Make `Settings` use pydantic v1 API where necessary

  #17 opened 2 months ago
  0

• Add `extends` support for `FahNonEquilibriumCyclingProtocol` once this exists in `feflow.NonEquilibriumCyclingProtocol`

  #16 opened 2 months ago
  0

• Add stop mechanism when `FahAsynchronousComputeService` exhausts all RUNs in a PROJECT, or all CLONEs in a RUN

  #15 opened 5 months ago
  2

• Add encryption support to `FahOpenMMSimulationUnit`

  #14 opened 5 months ago
  0

• Default integrator settings for `FahNonEquilibriumCyclingProtocol` too short for FAH WUs of reasonable runtime

  #13 opened 2 months ago
  3

• Add tests for `FahOpenMMSimulationUnit` methods

  #9 opened 7 months ago
  0

• Decrease execution time of tests by switching to formal charges on `SmallMoleculeComponent`s

  #8 opened 7 months ago
  1

• FAHComputeService for execuing FAH-based Protocols via a Folding@Home work server

  #1 opened 6 months ago
  23

• Protocol : FAH Times Square Sampling

  #6 opened 3 years ago
  3

• Protocol : FAH Independent Lambdas

  #4 opened 3 years ago
  1

• Protocol : FAH Times Square Sampling

  #5 opened a year ago
  1

• Protocol : FAH Nonequilibrium Switching

  #2 opened 3 years ago
  1

• Protocol : FAH Nonequilibrium Cycling

  #3 opened 6 months ago
  3