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Tversky similarity #35

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taryep opened this issue May 17, 2020 · 3 comments
Closed

Tversky similarity #35

taryep opened this issue May 17, 2020 · 3 comments

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@taryep
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taryep commented May 17, 2020

Could you add the Tversky similarity and the choice of alpha and beta coefficients in arguments ?
I’m actually doing this using RDKit and jupyter notebooks, but with FPSim 2 it would be faster and take less RAM.
@eloyfelix
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I can be added and we'll probably do. Thanks for the suggestion.

@eloyfelix
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it's now implemented in this branch: https://github.com/chembl/FPSim2/tree/tversky

still needs some little work before merging and creating new conda builds

@eloyfelix
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this functionality is now available in version 0.1.8

results = fpe.tversky(query, threshold=0.7, a=0.5, b=0.5)

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@eloyfelix @taryep