zaixizhang/MGSSL

Issues

• A motif that does not exist in the vocabulary：KeyError: 'C1=CNC=N1'

  #17 opened 4 months ago by Syforeal
  0

• Kekulization failed for some atoms.

  #16 opened 8 months ago by zoey731
  0

• Why could I get node representation only by GIN?

  #15 opened a year ago by simmzx
  1

• Error in `python': free(): invalid next size (fast)

  #14 opened a year ago by coderabbittank
  1

• RDKit ERROR: [07:38:26] Explicit valence for atom # 1 N, 6, is greater than permitted

  #12 opened a year ago by lizhixi212
  1

• About kekule

  #13 opened a year ago by wlgcqh
  1

• Run failure(KeyError: 'C1=CSC(C2=NNN=N2)=C1')

  #11 opened a year ago by yuzhou2333
  5

• Are there some mistakes in tree decomposition modules?

  #7 opened 2 years ago by 1004766790
  2

• [error] rdkit.Chem.rdchem.KekulizeException: Can't kekulize mol.

  #2 opened 3 years ago by seyongk
  3

• Pretrained Weights

  #10 opened 2 years ago by lvkd84
  1

• About Motif-Decomposition

  #9 opened 2 years ago by JongKook-Heo
  1

• Where is the atom loss and bond loss?

  #8 opened 2 years ago by windyLemon
  1

• Questions about motifs

  #1 opened 2 years ago by toooooodo
  1

• How can i get motifs for my own datasets?

  #6 opened 2 years ago by xxy90
  1

• Are there any released pre-trained models like GROVER?

  #5 opened 2 years ago by Dinxin
  1

• fingerprint

  #4 opened 2 years ago by rohanvarm
  1

• Question about dataset

  #3 opened 2 years ago by qiuxuanbaby
  1