Code

Dataset similarity#122

Code

Open

JochenSiegWork wants to merge 6 commits intomainbasf/MolPipeline:mainfrom dataset_similaritybasf/MolPipeline:dataset_similarityCopy head branch name to clipboard

+1,177-4

Commits

Commits on Feb 10, 2025

• estimators: add NearestNeighborsRetrieverTanimoto

  Show description for e9b1423
  JochenSiegWork

  committed
  e9b1423

  Copy full SHA for e9b1423

• Merge branch 'main' of github.com:basf/MolPipeline into dataset_similarity

  JochenSiegWork

  committed
  4832639

  Copy full SHA for 4832639

• docsig

  JochenSiegWork

  committed
  b0df02a

  Copy full SHA for b0df02a

• finished notebook execution

  JochenSiegWork

  committed
  21f37e6

  Copy full SHA for 21f37e6

• add chembl_35_20k.smi.gz example data file

  JochenSiegWork

  committed
  4a3700f

  Copy full SHA for 4a3700f

Commits on Feb 13, 2025

• first part Christians comments

  JochenSiegWork

  committed
  753c9ab

  Copy full SHA for 753c9ab