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Irrelevant arguments in atompairs fingerprints and topological torsions fingerprint #16

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EBjerrum opened this issue Oct 23, 2022 · 0 comments
Open

Irrelevant arguments in atompairs fingerprints and topological torsions fingerprint #16

EBjerrum opened this issue Oct 23, 2022 · 0 comments

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@EBjerrum
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Some arguments in the fingerprints class seem to be related to molecule (e.g. list of provided atom-invariants, and include_mol). They should maybe not be exposed for a general transformer class?
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