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Add Klekota-Roth SKFP vs CDK comparison#533

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StaniszewskiA merged 2 commits intomasterfrom
klekota-roth-benchmark
Mar 23, 2026
Merged

Add Klekota-Roth SKFP vs CDK comparison#533
StaniszewskiA merged 2 commits intomasterfrom
klekota-roth-benchmark

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@StaniszewskiA StaniszewskiA commented Mar 17, 2026

Implement SKFP vs CDK (Python wrapper) Klekota-Roth computation time benchmark. Adjust comments in tanimoto_comparison.py. Move benchmark-specific timing utils to a separate directory.

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Short description of changes

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)

@j-adamczyk j-adamczyk changed the title Add Klekota-Roth SKFP vs CDK comparison. Mention saving plot as PDF … Add Klekota-Roth SKFP vs CDK comparison Mar 22, 2026
@StaniszewskiA StaniszewskiA merged commit 533a42e into master Mar 23, 2026
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@StaniszewskiA StaniszewskiA deleted the klekota-roth-benchmark branch March 23, 2026 14:26
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