chembl/mychembl

Issues

• in 10 machine learning

  #40 opened 7 years ago by zeromtmu
  2

• KNIME file not found

  #38 opened 8 years ago by madgpap
  1

• Beaker similarity maps call not working

  #39 opened 8 years ago by madgpap
  0

• Deprecate pandas

  #37 opened 9 years ago by madgpap
  2

• change mentions of ipython notebooks to Jupyter notebooks on the landing page

  #33 opened 9 years ago by madgpap
  0

• IPython profiles are deprecated

  #30 opened 9 years ago by madgpap
  1

• Use conda

  #27 opened 9 years ago by mnowotka
  4

• Add plotly to python libs

  #31 opened 9 years ago by madgpap
  1

• remove GET from image2smiles, image2ctab methods

  #34 opened 9 years ago by madgpap
  0

• replace CTAB with SMILES in text

  #35 opened 9 years ago by madgpap
  0

• reconcile Beakers

  #36 opened 9 years ago by madgpap
  0

• Configure ipython to work inside virtualenv.

  #3 opened 10 years ago by mnowotka
  3

• Create a default virtualenv

  #2 opened 9 years ago by mnowotka
  1

• One day myChEMBL could be DL-ready

  #32 opened 9 years ago by madgpap
  4

• Add a user registration widget

  #29 opened 9 years ago by madgpap
  0

• Add Kibi on the VM

  #28 opened 9 years ago by madgpap
  1

• Include chemfp

  #26 opened 9 years ago by mnowotka
  0

• create a neo4j ipython notebook

  #25 opened 9 years ago by mnowotka
  0

• Replace fingerprint for WS sim. searches

  #18 opened 9 years ago by madgpap
  1

• dead link

  #19 opened 10 years ago by madgpap
  1

• Improve exact match in RDKit / notebooks

  #24 opened 10 years ago by madgpap
  0

• Invite Rodrigo, Greg and Sereina to submit notebooks for mychembl

  #16 opened 10 years ago by madgpap
  3

• mySureChEMBL

  #23 opened 10 years ago by madgpap
  0

• New notebook - Markush from patents

  #22 opened 10 years ago by madgpap
  0

• Include emscripten version of rdkit

  #21 opened 10 years ago by mnowotka
  0

• Provide example on how to copy files bewteeen host and VM

  #20 opened 10 years ago by mark-davies
  0

• replace phpPgAdmin

  #17 opened 10 years ago by mnowotka
  1

• New notebook - using mongoDB for chemistry.

  #6 opened 10 years ago by mnowotka
  1

• Advertise a Notebook competition for mychembl

  #15 opened 10 years ago by madgpap
  0

• Create notebook with openbabel examples

  #14 opened 10 years ago by madgpap
  0

• 03_myChEMBL_predict_targets DeprecationWarning

  #13 opened 10 years ago by mark-davies
  1

• mathjax issue

  #12 opened 10 years ago by mark-davies
  0

• Create a notebook to introduce all notebooks

  #11 opened 10 years ago by madgpap
  0

• Create mychembl_test.sh

  #10 opened 10 years ago by mark-davies
  0

• Make Notebook 01 more like Chemistry Toolkit Rosetta

  #9 opened 10 years ago by mnowotka
  4

• New notebook - compound structure recognition

  #8 opened 10 years ago by mnowotka
  0

• Create ADME SARfari ipython notebook

  #7 opened 10 years ago by mark-davies
  0

• Install ADME SARfari application in myChEMBL

  #5 opened 10 years ago by mark-davies
  0

• Keep notebooks in separate github repo

  #4 opened 10 years ago by mnowotka
  0