OptiMaL-PSE-Lab/DeepDock

Issues

• MSMS error

  #22 opened 2 years ago by amarye
  1

• Is there any method to specify binding site in script?

  #23 opened a year ago by JeongSooNa
  0

• Model Retraining

  #9 opened 3 years ago by paulo308
  1

• great work, do you have any plan to update?

  #21 opened 2 years ago by sightsIndeep
  1

• Error when using another Ligand

  #12 opened 3 years ago by nohandsomewujun
  2

• how to represent the ligand as a vector of the Euler angles, the relative position of the ligand?

  #19 opened 2 years ago by leaves520
  0

• installation and examples

  #6 opened 3 years ago by mbatgh
  1

• batch_size ->8, then show the error:

  #20 opened 2 years ago by sightsIndeep
  0

• dataset download issue

  #16 opened 2 years ago by HBioquant
  1

• What is the purpose of sanitize and cleanupSubstructures in RDkit function?

  #18 opened 2 years ago by lkqnaruto
  0

• libcusparse issue

  #17 opened 2 years ago by amarye
  0

• Constant additive term in MDN

  #15 opened 2 years ago by pmorerio
  1

• Wrong RMSD calculation?

  #14 opened 2 years ago by lkfo415579
  2

• Screening power does not match

  #13 opened 3 years ago by jwubz123
  0

• Ply Files

  #11 opened 3 years ago by paulo308
  0

• Large Scale Screening

  #10 opened 3 years ago by paulo308
  0

• GPU utilization is very low

  #7 opened 3 years ago by niuyixuan
  1

• how to gennerate ply file?

  #8 opened 3 years ago by hotwa
  1

• Dataload error while running training_DeepDock.ipynb

  #5 opened 3 years ago by Nanco-L
  1

• Charge file not generated/found

  #4 opened 3 years ago by JSLJ23
  2

• Unable to load data for training example

  #3 opened 3 years ago by JSLJ23
  2

• About screening power calculation

  #2 opened 3 years ago by ChifengWoo
  1

• Error while building docker container

  #1 opened 3 years ago by sdecesco
  6