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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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Bump to version 2.3.0
#20
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bachi55
closed
3 years ago
bachi55
commented
3 years ago
RBF kernel support
'kernel_loss' as label-loss function directly using the 'mol_kernel'
feature transformer in candidate db wrapper is copied on setting and getting