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Releases: DrrDom/spci

SPCI v1.0.0

03 Jul 09:15
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Considerably revised version with a lot of improvements and changes. Full list of changes is in the manual.
The most notably changes are:

  • migration to RDKit from Indigo
  • updated SiRMS descriptors
  • implementation of automatic multiple undersampling approach for modeling of imbalanced data sets