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CCMS-UCSD / GNPS_Workflows

Public Workflows at GNPS
https://gnps.ucsd.edu/
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Locally use code for MS2 clustering and generating molecule network #761

Closed chetankm1992 closed 3 years ago

chetankm1992 commented 3 years ago

Hi, I am trying to use this code locally and input one or multiple mzml files to perform MS2 clustering and also generate the molecular network on clustered data. I went through the readme and also different code files but could not find the instructions and the appropriate code files to do mentioned tasks. Could you please point me in the right direction that which files of this code can be used to input one or multiple mzml file and can do MS2 clustering and also generate the network. Note: I have already used GNPS webapp and the amount of information it generates on the uploaded mzml files is very impressive. I want to do the same kind of task but locally. Thanks!

mwang87 commented 3 years ago

Happy to discuss any issues you have during office hours

chetankm1992 commented 3 years ago

Thank you so much for replying @mwang87. Could you please let me know what are your office hours and how can we chat? Thanks

mwang87 commented 3 years ago

https://ccms-ucsd.github.io/GNPSDocumentation/contact/