Minor bug in pair selection algorithm

matchms / ms2deepscore

Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity

Apache License 2.0

48 stars 22 forks source link

Closed florian-huber closed 5 months ago

florian-huber commented 5 months ago

Currently the ignore_diagonal flag has a conceptual error --> it will set the score between a compound and itself to 0, but could still be selected
The pairs are only selected for > 0, should be >=0.

florian-huber commented 5 months ago

Was fixed in #197