Issues

• Would it be possible to use chemprop as the fingerprint?

  EBjerrum/scikit-mol#83 · Filter by author UnixJunkie opened on Feb 27, 2026
  3

• standardizer class is not covered by pytest

  EBjerrum/scikit-mol#25 · Filter by author EBjerrum opened on Feb 11, 2023

• Class coverage of fingerprints available in RDkit is not complete

  EBjerrum/scikit-mol#18 · Filter by author EBjerrum opened on Oct 23, 2022
  3

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

  EBjerrum/scikit-mol#17 · Filter by author EBjerrum opened on Oct 23, 2022

• Irrelevant arguments in atompairs fingerprints and topological torsions fingerprint

  EBjerrum/scikit-mol#16 · Filter by author EBjerrum opened on Oct 23, 2022

• Pytests of .set_params()

  EBjerrum/scikit-mol#15 · Filter by author EBjerrum opened on Oct 23, 2022

• Docstrings

  EBjerrum/scikit-mol#14 · Filter by author EBjerrum opened on Oct 23, 2022