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glasgowcompbio
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vimms
A programmable and modular LC/MS simulator in Python
MIT License
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Make a simple method for database search
#186
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sdrogers
closed
4 years ago
sdrogers
commented
4 years ago
Make a method that can compare the spectra generated (i.e. straight from the MS2 scans or from a .mgf that comes from, say MSDIAL) to databases
Initially support GNPS and MassBank
Make a pickle of the db objects for quick loading
Possibly add pickles to the fixtures?