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