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NP³ MS Workflow v1.1.6

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@crisfbazz crisfbazz released this 24 Mar 16:05
· 466 commits to master since this release
v1.1.6
ff583d1

The spec2vec function can now be used for the spectra similarity comparison in step 5, using model trained on UniqueInchikey subset (12,797 spectra). The user may select to use spec2vec or NP3 shifted cosine function using the similarity_function parameter.

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