EBjerrum/scikit-mol

Issues

• RDKit Deprecation Warnings for MorganFingerprint implementations

  #41 opened a month ago by RiesBen
  2

• Documentation

  #20 opened 5 months ago by EBjerrum
  1

• Contribution.md missing

  #35 opened 5 months ago by EBjerrum
  0

• Pandas transform output option is ignored or raises error

  #38 opened 5 months ago by enricogandini
  7

• scikit-optimize runs leads to errors

  #27 opened a year ago by EBjerrum
  1

• Contact

  #30 opened a year ago by EBjerrum
  1

• Class coverage of fingerprints available in RDkit is not complete

  #18 opened 2 years ago by EBjerrum
  3

• standardizer class is not covered by pytest

  #25 opened 2 years ago by EBjerrum
  0

• Integration testing

  #19 opened 2 years ago by EBjerrum
  0

• pytest of .set_params() for atompais and topological torsions don't respond as expected to includeChirality flag

  #17 opened 2 years ago by EBjerrum
  0

• Irrelevant arguments in atompairs fingerprints and topological torsions fingerprint

  #16 opened 2 years ago by EBjerrum
  0

• Pytests of .set_params()

  #15 opened 2 years ago by EBjerrum
  0

• Docstrings

  #14 opened 2 years ago by EBjerrum
  0