semodi/neuralxc

Issues

• OSError: Unable to create link (name already exists)

  #18 opened 3 years ago by eftalgezer
  0

• AttributeError: 'GroupedStandardScaler' object has no attribute 'threshold'

  #16 opened 3 years ago by eftalgezer
  0

• Question about how to evaluate a trained model

  #12 opened 4 years ago by huishan-cen
  3

• Travis CI Security Breach Notice

  #14 opened 4 years ago by Lnaden
  0

• possible memory leak when parallel

  #10 opened 4 years ago by alecpwills
  0

• basis nworkers error

  #7 opened 4 years ago by alecpwills
  1

• spec_agnostic error

  #6 opened 4 years ago by alecpwills
  1

• Problems when using Brillouin zone sampling with SIESTA

  #4 opened 4 years ago by semodi
  1

• Test for non-cubic cells

  #2 opened 6 years ago by semodi
  1

• Model needs to ignore atomic species it was not trained on

  #1 opened 6 years ago by semodi
  1