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Updating PaDEL due to absence of IMolecule & IFingerprinter - AtomPairs2D #6

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RvdPloeg opened this issue Sep 20, 2024 · 1 comment

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RvdPloeg commented Sep 20, 2024

Updated AtomPairs2D to be able to handle the new IFingerprinter interface.

Member

egonw commented Sep 21, 2024

IMolecule can just be replaced by IAtomContainer. The API is exactly the same.

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