ChangeLog

Here we report all changes thorugh all different releases on: MSM github

1.2.0

• Include postfilter module with:

  • Keep molecules that were grown through certain atom

  • Avoid molecules that were grown through certain atom

  • Avoid duplicate molecules

• Fix minor bugs

1.1.0

• Initial release with 5 query methods:

  • Most n similars

  • Tanimoto similarity based

  • Substructure matching

  • Several substructure matching

  • Similarity based with substructure matching