HIPS/neural-fingerprint

Issues

• Syntax Errors, util.py not found, cannot import name 'logsumexp' from 'autograd.scipy.misc'

  #12 opened 2 years ago by Cameron-Nguyen1
  1

• Malari Dataset

  #11 opened 5 years ago by yuanjames
  4

• Binary Cross Entropy instead of MSE

  #10 opened 5 years ago by JanoschMenke
  1

• Utils not found

  #9 opened 6 years ago by vikas84bf
  1

• The metrics of Mean predictive accuracy of neural fingerprints in table 1

  #8 opened 7 years ago by xiongzhp
  3

• experiment scripts import error

  #5 opened 7 years ago by fgvbrt
  3

• Strange predictions

  #7 opened 7 years ago by allchemist
  1

• Fingerprint BitVector to Int array

  #6 opened 8 years ago by 0x7CA
  0

• Some bugs about mol_graph.py

  #1 opened 9 years ago by ClinuxMDL
  2

• Some details about Hyperparameter Optimization?

  #2 opened 9 years ago by ClinuxMDL
  1