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@rdk rdk released this 13 Nov 17:51
· 736 commits to develop since this release
2.2
3d4f586

This is a maintenance release that contains numerous small improvements and bug fixes.

Main changes:

  • calibrated probability score for pockets is now included in *_predictions.csv
  • fixed small predictive performance regression of v2.1
  • fixed bug in conservation based model (results in substantial performance improvement for multi-chain proteins)
  • added support for Java 15
  • better output formatting
  • better logging and error messages
  • many improvements for training new models including optimized FasterForest2 classifier and new csv file feature

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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