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Fingerprint score refactoring#291

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florian-huber wants to merge 12 commits intomainfrom
fingerprint_score_refactoring
Open

Fingerprint score refactoring#291
florian-huber wants to merge 12 commits intomainfrom
fingerprint_score_refactoring

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@florian-huber
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@florian-huber florian-huber commented Mar 27, 2026

  • Add more fingerprints (now including rdkit unfolded variants, count and log-count)
  • Fix sampling issue during training
  • Central implementation of fingerprint based similarities in fingerprint_similarity_computations.py
  • Expand testing

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Quality Gate Failed Quality Gate failed

Failed conditions
32.6% Coverage on New Code (required ≥ 80%)
6.0% Duplication on New Code (required ≤ 3%)

See analysis details on SonarQube Cloud

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