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aalto-ics-kepaco / msms_rt_ssvm

Implementation of the LC-MS²Struct model published in the manuscript "Joint structural annotation of small molecules using liquid chromatography retention order and tandem mass spectrometry data" by Bach et al.
MIT License
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Add scoring function #9

Open bachi55 opened 3 years ago

bachi55 commented 3 years ago

Scoring function calculates the top-k accuracy.

bachi55 commented 3 years ago

Open Questions Is it sufficient to calculate the average, e.g. top-k, accuracy over the sequences in the sample? Thereby we first calculate the average, e.g. top-k, accuracy over the sequence and subsequently average over the samples.