divelab/MoleculeX

Issues

• Final Prediction

  #12 opened 6 months ago by Fireflower-March
  0

• TypeError: __inc__() takes 3 positional arguments but 4 were given

  #8 opened 3 years ago by WGDMS
  3

• Do you provide the code to build the model to predict 3D coordinates?

  #11 opened 7 months ago by gregory-kyro
  0

• PyTorch installation may be too old

  #10 opened a year ago by mahuahuahua
  1

• MoleculeX/Molecule3D/preprocess/mols2sdf.py 代码中 没有看到 path = '/mnt/dive/shared/kaleb/Datasets/PubChemQC/utils/list_of_valid_mol_dirs2.pkl'

  #9 opened 2 years ago by bugatti742
  0

• "There is no edge, we should give an empty tensor to edge_attr. Molecule is in row: 2"

  #7 opened 3 years ago by WGDMS
  0

• Descriptors, descriptor generator not installed

  #6 opened 3 years ago by WGDMS
  0

• Conformer Screening

  #5 opened 3 years ago by hansen7
  1

• Could you provide trained models?

  #4 opened 3 years ago by htlee6
  3

• MoleculeKit name

  #3 opened 3 years ago by stefdoerr
  1

• String models exploit biases in MoleculeNet SMILES dialect to inflate performance

  #2 opened 4 years ago by cyrusmaher
  0