InformaticsMatters/pipelines

Issues

• ClusterFps treshold

  #47 opened 4 years ago by LivC193
  1

• Some issues with the pipelines

  #38 opened 4 years ago by simonbray
  2

• Build-time tags for pipelines images and service descriptors

  #25 opened 6 years ago by alanbchristie
  1

• Enhancement to rDock docking

  #35 opened 5 years ago by tdudgeon
  0

• Introduce pipeline versioning

  #34 opened 5 years ago by alanbchristie
  0

• CMD changes for latest OpenShiftRunner

  #33 opened 6 years ago by alanbchristie
  0

• Support for Python 3 execution

  #29 opened 6 years ago by alanbchristie
  1

• Use YAML for all service descriptors

  #30 opened 6 years ago by tdudgeon
  3

• Changes for remote execution

  #26 opened 6 years ago by alanbchristie
  1

• Use buildah and Jenkins for rdkit and sdloader image build

  #23 opened 7 years ago by alanbchristie
  0

• Improve test coverage

  #21 opened 7 years ago by alanbchristie
  1

• Use of utils v2

  #20 opened 7 years ago by alanbchristie
  0

• Allow to run Nextflow pipelines that us containers that run as non-root users

  #22 opened 7 years ago by tdudgeon
  2

• DMPK pipeline changes (Tweaking V1)

  #18 opened 7 years ago by alanbchristie
  0

• Refactor

  #14 opened 7 years ago by alanbchristie
  0

• MCS deprecation in constrained_conf_gen.py

  #13 opened 7 years ago by tdudgeon
  1

• New formats (PDB stream and JSON stream)

  #12 opened 7 years ago by abradle
  0

• Add ability to run generic reactions.

  #8 opened 7 years ago by abradle
  0

• Documentation Update

  #10 opened 7 years ago by alanbchristie
  0

• Add simply get Enantiomer method

  #9 opened 7 years ago by abradle
  0

• Allow to use RDKit Mol pickles for IO

  #4 opened 8 years ago by tdudgeon
  0

• Screen using SSS

  #3 opened 8 years ago by tdudgeon
  0

• Neutralise function

  #2 opened 8 years ago by tdudgeon
  0

• Python tests

  #1 opened 8 years ago by tdudgeon
  0