lihan97/KPGT

Issues

• FileNotFoundError: [Errno 2] No such file or directory: '../datasets/bace/rdkfp1-7_512.npz'

  #10 opened 6 months ago by Jersey1234
  1

• About the selection of the K node

  #9 opened 7 months ago by Fireflower-March
  1

• How to get molecular descriptors?

  #8 opened 7 months ago by StefanIsSmart
  5

• Code on finetune

  #7 opened 8 months ago by Hanpeiling
  0

• Missing code for fine-tuning strategies?

  #6 opened 9 months ago by pjspol
  0

• how to get ../dataset/scaffold_0 or scaffold_1 or scaffold_2?

  #5 opened a year ago by iwanthappy
  9

• Extract features from ".cif" file.

  #3 opened a year ago by Sharpiless
  1

• RuntimeError: CUDA error: unspecified launch failure

  #4 opened a year ago by WangYitian123
  1

• The meaning of the ‘’Class" column in bace dataset

  #2 opened a year ago by wewen1996
  0

• TypeError: 'numpy.float64' object cannot be interpreted as an integer + tuple has no attribute shape

  #1 opened 2 years ago by CDog94
  2