This repository serves as a template for implementing a custom computational backend for CandidateSearch and the non-cleavable crosslink search in MS Annika.
An exemplary custom implementation is given in findTopCandidates (in VectorSearch/dllmain.cpp).
A demonstration of this example implementation is given in spmv_example.md.
Users do not need to implement every function in VectorSearch/dllmain.cpp but
simply choose the one which function signature fits best to their use case. The
implemented function can then be called from CandidateSearch or MS Annika
using the parameter value that maps to that function (given in the function's
documentation).
It might be useful to also look at the official implementation of CandidateVectorSearch which uses Eigen for computing matrix products.
A (non-exhaustive) list of potential new backends that could be implemented is given in Issues.
If you are using [parts of] CandidateVectorSearch or this template please cite this publication:
Proteome-wide non-cleavable crosslink identification with MS Annika 3.0 reveals the structure of the C. elegans Box C/D complex
Micha J. Birklbauer, Fränze Müller, Sowmya Sivakumar Geetha, Manuel Matzinger, Karl Mechtler, and Viktoria Dorfer
Communications Chemistry 2024 7 (300)
DOI: 10.1038/s42004-024-01386-x