3D-e-Chem/3D-e-Chem-VM

Issues

• Fig_2_Kinase_scaffold_hopping workflow

  #31 opened 4 years ago by Rdk0
  0

• new Sygma and Kripo nodes default to Python3

  #29 opened 7 years ago by sverhoeven
  2

• booting VM with v1.2.0 has disconnected network

  #23 opened 7 years ago by sverhoeven
  1

• Add molviewer KNIME node to VM

  #27 opened 8 years ago by sverhoeven
  1

• Use knime-node-collection feature instead of installing each node separately

  #28 opened 8 years ago by sverhoeven
  0

• Close VM by sending shutdown signal does not work

  #26 opened 8 years ago by sverhoeven
  0

• Remove old kernels

  #25 opened 8 years ago by sverhoeven
  0

• Embed screencast video on documentation and website

  #24 opened 8 years ago by sverhoeven
  0

• Add GPCRDB & Kripo pymol session files

  #18 opened 8 years ago by sverhoeven
  2

• Replace content of KNIME `3D-e-Chem-Workflows/` folder with repo

  #21 opened 8 years ago by sverhoeven
  1

• Kripo fragments.sqlite source moved

  #22 opened 8 years ago by sverhoeven
  0

• Add Sygma Python library and KNIME nodes

  #20 opened 8 years ago by sverhoeven
  0

• Kripodb sample data set renamed

  #19 opened 8 years ago by sverhoeven
  0

• Modified tanimoto node install fails

  #17 opened 9 years ago by sverhoeven
  1

• Add Kripo bioisosteric replacement workflow

  #16 opened 9 years ago by sverhoeven
  0

• Add contribution guidelines

  #10 opened 9 years ago by sverhoeven
  0

• Add code of conduct

  #11 opened 9 years ago by sverhoeven
  0

• Add Klifs knime node & example

  #14 opened 9 years ago by sverhoeven
  0

• In knime workspace create workflows subfolder

  #15 opened 9 years ago by sverhoeven
  0

• Add medium size Kripo dataset

  #12 opened 9 years ago by sverhoeven
  1

• Add CHANGELOG.md

  #9 opened 9 years ago by sverhoeven
  0

• 32 libraries

  #8 opened 9 years ago by RossBio
  1

• self upgrade script gets overwritten by cap

  #6 opened 9 years ago by sverhoeven
  0

• Add example workflows

  #5 opened 9 years ago by sverhoeven
  0

• Add Chembl postgresql

  #3 opened 9 years ago by sverhoeven
  1

• Add rdkit

  #2 opened 9 years ago by sverhoeven
  1

• Add postgresql

  #1 opened 9 years ago by sverhoeven
  1