JacksonBurns/mordred-community

Issues

• Possibility on speeding the calculations up?

  #19 opened a month ago by AquifersBSIM
  3

• RuntimeWarning: invalid value encountered in scalar power

  #18 opened 3 months ago by LucaCappelletti94
  1

• Unable to calculate majority of MorSE descriptors from 3D structures

  #15 opened 7 months ago by brunocalcada
  3

• Generate descriptors from charged molecules

  #14 opened 7 months ago by brunocalcada
  3

• Overflow Error

  #11 opened 10 months ago by dr-aspirinas
  3

• Add support for Python 3.12 once `rdkit` does

  #8 opened a year ago by JacksonBurns
  1

• Overflow eeror

  #5 opened a year ago by dkchalmers
  3

• Update README with `conda-forge` Package

  #4 opened a year ago by JacksonBurns
  0

• Data directory missing

  #2 opened a year ago by TUstudents
  3