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Add Tanimoto scikit-fingerprints vs RDKit benchmark#530

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j-adamczyk merged 4 commits intomasterfrom
tanimoto-benchmark
Mar 16, 2026
Merged

Add Tanimoto scikit-fingerprints vs RDKit benchmark#530
j-adamczyk merged 4 commits intomasterfrom
tanimoto-benchmark

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@StaniszewskiA
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@StaniszewskiA StaniszewskiA commented Mar 15, 2026

Changes

Implement SKFP vs RDKit benchmark comparing speed of the Tanimoto distance computation (pairwise).

Checklist before requesting a review

  • Docstrings added/updated in public functions and classes
  • Tests added, reasonable test coverage (at least ~90%, make test-coverage)
  • Sphinx docs added/updated and render properly (make docs and see docs/_build/index.html)

mjste
mjste previously approved these changes Mar 15, 2026
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Fix what @Thematiq pointed out. Rest seems fine

mjste
mjste previously approved these changes Mar 15, 2026
my-alaska
my-alaska previously approved these changes Mar 15, 2026
@j-adamczyk j-adamczyk changed the title Add Tanimoto SKFP vs RDKit benchmark Add Tanimoto scikit-fingerprints vs RDKit benchmark Mar 16, 2026
@StaniszewskiA StaniszewskiA dismissed stale reviews from my-alaska and mjste via 304d862 March 16, 2026 15:31
@j-adamczyk j-adamczyk merged commit 0eb7623 into master Mar 16, 2026
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@j-adamczyk j-adamczyk deleted the tanimoto-benchmark branch March 16, 2026 21:18
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5 participants