yuyangw/iMolCLR

Issues

• How to train and test QM9 dataset on your model

  #11 opened a year ago by lajictw
  0

• FindBRICSBonds

  #10 opened a year ago by Syzseisus
  0

• finetune hyperparameters

  #9 opened a year ago by aehrlich1
  0

• I've got some errors when pretraining.

  #7 opened 2 years ago by Syzseisus
  2

• Use Extra features

  #8 opened 2 years ago by Syzseisus
  0

• How to Get Chirality tag and BondDir for canonical smiles

  #6 opened 2 years ago by shrimonmuke0202
  1

• if atom and edge features are one-hot encoding, how to mask?

  #5 opened 2 years ago by wuyuhui-zju
  1

• scaled error

  #4 opened 2 years ago by liuyunwu
  1

• How to define the positive pair of the fragment?

  #3 opened 2 years ago by microbenh
  1

• 'timeout!' Error

  #2 opened 2 years ago by Dandelionym
  3

• Code is not reproducible. (data.motif_batch in ginet.py)

  #1 opened 2 years ago by johnnam513
  1