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MLCIL / scikit-fingerprints Public

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Add MoleculeACE datasets#499

Merged

Thematiq merged 6 commits intoMLCIL:masterMLCIL/scikit-fingerprints:masterfrom

Thematiq:feat/moleculeace_datasetsThematiq/scikit-fingerprints-dev:feat/moleculeace_datasetsCopy head branch name to clipboard

Oct 16, 2025

Conversation Commits6 (6)Checks Files changed

Merged

Add MoleculeACE datasets#499
Thematiq merged 6 commits intoMLCIL:masterfrom
Thematiq:feat/moleculeace_datasets

Commits

Commits on Oct 15, 2025

Added implementation of first MoleculeACE dataset
Thematiq
committed
Added individual MoleculeACE datasets
Thematiq
committed
Added split function and unit tests
Thematiq
committed
Add missing docs
Thematiq
committed

Commits on Oct 16, 2025

Update documentation per PR review
Thematiq
committed
Update documentation per PR review
Thematiq
committed

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