MolecularAI/QSARtuna

Issues

• ImportError: cannot import name '_collect_type_vars' from 'typing' (/home/zz/anaconda3/envs/my_env_with_qsartuna/lib/python3.11/typing.py)" }

  #38 opened 2 months ago by mmsoda
  1

• chemprop.predict_from_smiles reports error when explain is set to True

  #36 opened 2 months ago by ErikZhang-9762
  4

• License File?

  #37 opened 3 months ago by dmoccia
  2

• Convert trained sklearn model to QSARTuna model.

  #26 opened 3 months ago by JanoschMenke
  6

• Scaffold Split Not Implemented Error

  #33 opened 3 months ago by kc-chong
  5

• Is it possible to add other ML algorithms?

  #25 opened 3 months ago by Henrik51
  4

• Installation instructions

  #30 opened 3 months ago by halx
  11

• Automatic naming of qsartuna-build output if not supplied by user

  #34 opened 3 months ago by shortydutchie
  3

• Does QSARtuna Utilize GPU Resources?

  #23 opened 4 months ago by sasaju
  3

• Output of training and testing sets

  #22 opened 6 months ago by kong0706
  1

• ChemProp classifier warnings

  #4 opened 6 months ago by WoutVanEynde
  8

• Instructions to create the environment missing

  #16 opened 6 months ago by macneves
  2

• PrecomputedDescriptorFromFile doesn't accept stereo smiles?

  #3 opened 6 months ago by jeremycheminf
  4

• Question about adding custom descriptor calculation method

  #17 opened 6 months ago by hirose125
  2

• PermissionError: [Errno 13] Permission denied, for 3.0.0.1 and 3.0.0 version

  #7 opened 8 months ago by MachineGUN001
  2

• for Choosing scoring function, how to set OptimizationDirection

  #6 opened 8 months ago by MachineGUN001
  2

• some problem occured when i initiated qsartuna in jupyter notebook

  #5 opened 9 months ago by luo-yujiang
  2

• Install instruction on conda has link to AZ server failing

  #2 opened 9 months ago by jeremycheminf
  4

• Missing files

  #1 opened 10 months ago by varys50
  3