atomistic-machine-learning/G-SchNet

Issues

• Better way to indicate that this repo is deprecated

  #10 opened 2 years ago by JacksonBurns
  1

• Question about the Training Time

  #8 opened 2 years ago by ameya98
  1

• Upgrading to SchNetPack v2.0?

  #9 opened 2 years ago by ameya98
  1

• Issues about using custom dataset

  #7 opened 2 years ago by Layne-Huang
  1

• how to calculate homo lumo gap of a new molecule generated by your model?

  #6 opened 2 years ago by sjchasel
  1

• Concern about bias in each batch

  #5 opened 4 years ago by wxx07
  2

• A bug in get_default_neighbors func

  #4 opened 4 years ago by wxx07
  2

• 'AtomwiseWithProcessing' object has no attribute 'stress'

  #3 opened 4 years ago by wxx07
  2

• How to choose max_dist?

  #2 opened 4 years ago by wxx07
  4

• About current tokens in get_random_walk func

  #1 opened 4 years ago by wxx07
  2