arneschneuing/DiffSBDD

Issues

• Why used different methods to calculate loss-t for training and validation?

  #44 opened 3 months ago by Yuhan-Fei
  0

• Scaffold Hopping

  #43 opened 10 months ago by sirine90
  1

• evolutionary algorithm

  #42 opened 10 months ago by TommyBiomodellingAU
  0

• Openbabel error

  #29 opened a year ago by githubrudramani
  2

• Segmentation fault when running the program

  #41 opened a year ago by TommyBiomodellingAU
  0

• High CUDA memory usage while generating ligands

  #40 opened a year ago by CADDfarmer
  0

• Issue running full atom joint model

  #39 opened a year ago by amitkadan
  0

• Error in Colab - "from lightning_modules import LigandPocketDDPM"

  #38 opened a year ago by evancollins1
  1

• how to implement scaffold hopping/elaboration and fragment growing/merging Case?

  #33 opened a year ago by berlinliumingfei
  13

• Problem with CoLab notebook

  #11 opened 2 years ago by drc007
  3

• error while running generate_ligands.py

  #37 opened a year ago by MachineGUN001
  0

• Which part did you update?

  #36 opened a year ago by msako82
  0

• Data preprocessing with coarse graining does not seem to work

  #31 opened a year ago by stratisMarkou
  1

• Error occurs at Line 146 of get_edges()

  #28 opened a year ago by mathfirst
  5

• The meaning of auxiliary_loss

  #24 opened a year ago by pearl-rabbit
  1

• Data preparation failed in Colab

  #12 opened a year ago by rwbfd
  3

• Reproducing the paper's result

  #35 opened a year ago by minju-hits
  0

• Why the performance of the latest vesion of DiffSBDD improves so much?

  #34 opened a year ago by wadx2019
  0

• The file size_distribution.npy is not available in your repository. Could you please upload this file?

  #32 opened a year ago by mathfirst
  1

• How to sample mols on all pockets of the test set of Crossdocked dataset?

  #25 opened a year ago by mathfirst
  7

• Code Issue

  #27 opened a year ago by githubrudramani
  0

• DDIM sampling

  #26 opened a year ago by mathfirst
  0

• Error runtime

  #22 opened a year ago by amarye
  3

• how to get the right reference_ligand info

  #21 opened a year ago by MachineGUN001
  2

• Segmentation fault when running generate_ligands.py

  #23 opened a year ago by RobinPoelmans
  0

• Result Problem

  #19 opened 2 years ago by PikaQiu520521
  13

• About wandb

  #20 opened 2 years ago by pearl-rabbit
  2

• Can't metrics

  #13 opened 2 years ago by PikaQiu520521
  3

• process_ Crosslock.py data preprocessing failed

  #18 opened 2 years ago by pearl-rabbit
  5

• Predicted Ligands are not chemically realistic?!?

  #16 opened 2 years ago by OerthBio-Slav
  1

• Error when running generate_ligands.py

  #17 opened 2 years ago by Shredderroy
  2

• Error when running the process_crossdock.py

  #2 opened 2 years ago by WoohyunSonTMS
  8

• Checkpoints

  #15 opened 2 years ago by YaelZiv
  1

• GPU memory requirement for training

  #14 opened 2 years ago by ChenShengsGitHub
  2

• Config files for training publication models

  #8 opened 2 years ago by Dunni3
  2

• The initial ligand part

  #6 opened 2 years ago by 1121091694
  1

• Runerror: Dimensional mismatch

  #4 opened 2 years ago by WoohyunSonTMS
  4

• Problem on process_bindingmoad.py

  #5 opened 2 years ago by lianghsun
  1

• Question about gradient flow during training

  #10 opened 2 years ago by amorehead
  1

• Clarification on value of `connectivity_thresh`

  #9 opened 2 years ago by amorehead
  1

• cuda memory usage

  #7 opened 2 years ago by BL-Lac149597870
  2

• problem on 'config.yml'

  #3 opened 2 years ago by prophet-Fang
  6

• problem on preprocessing crossdock

  #1 opened 2 years ago by EDAPINENUT
  1