jamesgleave/Deep-Docking-NonAutomated

Issues

• ValueError: Not enough values to unpack

  #25 opened 2 months ago by stepha86
  0

• ValueError: Number of processes must be at least 1

  #24 opened a year ago by Alma-lab338
  1

• There are not enough hits

  #21 opened 2 years ago by BJWiley233
  11

• Dealing with failed dockings

  #23 opened a year ago by Tonylac77
  0

• simple_job_predictions.py most scores in morgan_1024_predictions are 1.0

  #22 opened 2 years ago by BJWiley233
  0

• simple_job_models.py

  #8 opened 3 years ago by albertma-evotec
  7

• Suggested corrections

  #19 opened 2 years ago by FebsN0
  1

• overwriting

  #20 opened 2 years ago by FebsN0
  1

• final_phase

  #14 opened 3 years ago by albertma-evotec
  1

• Sign of docking score relevant?

  #17 opened 3 years ago by georgkempf
  1

• sampling

  #16 opened 3 years ago by sailseem
  17

• hardware requirements

  #15 opened 3 years ago by sailseem
  1

• extracting_smiles code in phase 1

  #18 opened 3 years ago by albertma-evotec
  1

• all_smiles_XX files in morgan_1024_predictions folder

  #13 opened 3 years ago by albertma-evotec
  3

• best_model_stats

  #12 opened 3 years ago by albertma-evotec
  1

• Thresholds

  #11 opened 3 years ago by albertma-evotec
  5

• Fianl iteration issues

  #10 opened 3 years ago by YairFrank
  3

• Sampling.py in iterations>1

  #9 opened 3 years ago by YairFrank
  2

• ML.lasso_regularizer

  #7 opened 4 years ago by albertma-evotec
  1

• ML package

  #5 opened 4 years ago by YairFrank
  6

• simple_job_models file

  #6 opened 4 years ago by albertma-evotec
  1