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datamol-io / datamol Public

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refactor to rdFingerprintGenerator#226

Merged

zhu0619 merged 6 commits intomaindatamol-io/datamol:mainfrom fix/fpdatamol-io/datamol:fix/fpCopy head branch name to clipboard

Jun 10, 2024

+575-115

Conversation Commits6 (6)Checks Files changed

Commits

Commits on May 28, 2024

refactor to rdFingerprintGenerator
zhu0619
committed
update default parameter
zhu0619
committed
update atompair parameters
zhu0619
committed

Commits on Jun 9, 2024

fix errors and add no_rdkit_log decorator
maclandrol
committed
change matrix testing
maclandrol
committed
wip
maclandrol
committed

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