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.
We could sample the spanning trees (for the MRF approximation) directly in the SequnceSample class during the sampling. This would help carrying around through the code.
We could sample the spanning trees (for the MRF approximation) directly in the SequnceSample class during the sampling. This would help carrying around through the code.