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basf / MolPipeline Public

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mol2morgan_fingerprint: remove deprecated fp function#83

Merged

JochenSiegWork merged 8 commits intomainbasf/MolPipeline:mainfrom remove_deprecated_fingerprint_functionbasf/MolPipeline:remove_deprecated_fingerprint_functionCopy head branch name to clipboard

Sep 23, 2024

+38-8

Conversation Commits8 (8)Checks Files changed

Commits

Commits on Sep 9, 2024

mol2morgan_fingerprint: remove deprecated fp function
JochenSiegWork
committed

Commits on Sep 20, 2024

Error handling sanitize bug (#85 )

frederik-sandfort1
authored and
JochenSiegWork
committed
Inchitomol (#86 )

frederik-sandfort1
authored and
JochenSiegWork
committed
Add --check-only flag to isort (#88 )

c-w-feldmann
authored and
JochenSiegWork
committed
docu: update readme, add image, add feature calc notebook (#90 )
JochenSiegWork
committed
add counted fps to test
JochenSiegWork
committed
Merge branch 'main' into remove_deprecated_fingerprint_function
JochenSiegWork
authored
Merge branch 'main' into remove_deprecated_fingerprint_function
JochenSiegWork
authored

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