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@rdk rdk released this 01 Apr 19:02
· 889 commits to develop since this release

Changelog:

  • Produces a *_residues.csv file with scores and pocket assignments for all protein residues.
  • Calculates calibrated probabilities (transformed from scores) for pockets and residues.
  • Added support for newer versions of Java (8 to 14).
  • Numerous bugfixes and performance optimizations.

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