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2.3
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@rdk rdk released this 02 Jul 03:10
· 626 commits to develop since this release
2.3
d0cc9fd

Maintenance release that contains numerous small improvements and bug fixes.

Main changes:

  • FASTA export (see export-chains-to-fasta)
  • report meaningful errors on invalid command line arguments
  • improvements for training and evaluating new models (incl. feature filters)

If you are already using P2Rank see the list of breaking changes.

This version contains the same default prediction model as the version described in the JChem article.

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