Ramprasad-Group/polygnn

Issues

• ModuleNotFoundError: No module named 'distutils.cmd'

  #25 opened a month ago by williamschertzer
  1

• Direct access to fingerprints

  #24 opened a month ago by rishigurnani
  0

• About Dataset

  #23 opened 2 months ago by littlepeachs
  3

• Running with CUDA 12.3

  #22 opened 4 months ago by kietbphan
  1

• whole data access

  #21 opened 4 months ago by shijiale0609
  4

• smiles_featurizer;'ValueError: Invalid repeat unit. Periodic bond types are mismatching.'

  #19 opened 8 months ago by kietbphan
  2

• Issue with installation

  #18 opened 10 months ago by madhubantimukherjee
  7

• Memory Allocation Error

  #16 opened a year ago by oliverhvidsten
  3

• Poor Prediction Results

  #13 opened a year ago by oliverhvidsten
  4

• Smiles Key Error

  #12 opened a year ago by oliverhvidsten
  9

• Create a `example_predict.py` file

  #10 opened a year ago by rishigurnani
  0

• Update citation details

  #11 opened a year ago by rishigurnani
  0

• Update wheel version

  #9 opened a year ago by rishigurnani
  0

• Debugging Matrix Multiplication Error

  #8 opened a year ago by oliverhvidsten
  2

• ValueError: Found input variables with inconsistent numbers of samples: [293, 874]; trying to tune HP on subset of data

  #7 opened a year ago by kietbphan
  2

• some questions about the dataset

  #6 opened a year ago by Don12138
  4

• After successful installation, running polygnn shows error with torch

  #5 opened a year ago by madhubantimukherjee
  9

• Model seemingly not converging

  #4 opened a year ago by jnistane3
  2

• matrix multiplication errors while training

  #3 opened a year ago by jnistane3
  2