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v0.4.0

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@dominiquesydow dominiquesydow released this 04 Sep 06:53
· 87 commits to main since this release
v0.4.0
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Learn about vigilant mode.

New

  • Min-max normalization for continuous values more fine-grained + CLI (kissim normalize)
    • Distances: Min-max per subpocket and residue position
    • Moments: Min-max per moments and subpocket
  • Add residue subsets for fingerprinting + CLI (kissim subset)

Fixed bugs

  • Sort kinase pairs alphabetically before groupby (important to have unique pair combinations for structure to kinase mapping)
  • Add exceptions for errors detected with updated KLIFS dataset
Assets 2
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