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Fix Substance Encodings#474

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Scienfitz merged 10 commits intomainemdgroup/baybe:mainfrom fix/substance_encodingsemdgroup/baybe:fix/substance_encodingsCopy head branch name to clipboardFeb 6, 2025

+20-14

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Commits on Feb 1, 2025

• Add BCUT2D

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• Reduce test parameterization

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• Improve column naming

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Commits on Feb 6, 2025

• Remove columns with duplicated names

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• Fix botorch references

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• Update CHANGELOG.md

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• Revert "Remove columns with duplicated names"

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• Bump scikit-fingerprints version

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• Exclude yanked matplotlib version

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• Update lockfile

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