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Indigo 1.4.1

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@mkviatkovskii mkviatkovskii released this 05 Dec 09:52
· 964 commits to master since this release

New features and improvements:

  • License changed to Apache 2.0
  • Initial version of Bingo ElasticSearch plugin for Java and Python was added. See details:
  • Indigo.NET switched to .NET Standard 2.0 format and became truly cross-platform, supporting Windows, Linux and macOS on all .NET
    runtimes supporting .NET Standard 2.0.
  • Indigo REST API service sources published
  • Support of ECFP, FCFP fingerprints added
  • Python wheels added to PyPI as epam.indigo
  • Preliminary support of new molecules and reactions JSON format added
  • Method check for validating molecules and reactions added
  • CI for native libraries and wrappers for Python, Java and .NET moved to Github Actions engine
  • iterateSDF with files over 4GB support added
  • 32-bit x86 libraries were removed from binary packages, although you can still build the manually.
  • Python 2 support dropped, but you can still build Indigo Python 2 wrapper manually
  • API functional tests added
  • Java API cleanup
  • Support for building in Visual Studio 2019, macOS 10.14 and 10.15 added
  • Added support for isotopic information in Gross formula

Bugfixes

  • Python renderer usage (#136)
  • Molecule corruption after atom.remove (#177)
  • indigo.loadMolecule("ARS") crashes (#162)
  • Python iterateTautomers bug (#143)
  • Fixes for tautomer fingerprints calculation
  • Fixes in SMARTS rendering
  • Added saving chirality flag