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Releases: nostrumbiodiscovery/analogs_finder

v1.2.1

15 Nov 16:25
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v1.2.1

Fast release to fix pypi error on 1.2.0

v1.2.0

15 Nov 16:22
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v1.2.0 Pre-release
Pre-release

v1.2.0

  • 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

v1.1.0

15 Nov 16:12
a6e8dad
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V1.1.0

First official version analogs_finder!!! It contains:

  • Initial release with 5 query methods:
    • Most n similars
    • Tanimoto similarity based
    • Substructure matching
    • Several substructure matching
    • Similarity based with substructure matching