search

ipb-halle / MetFragRelaunched

Relaunch of the initial MetFrag project.
http://ipb-halle.github.io/MetFrag/
18 stars 16 forks source link

Usage of Retention Time Score #111

Open LeonSaal opened 1 year ago

LeonSaal commented 1 year ago

Hello,

I am having issues finding information on the usage of the Retention Time Score $S {C{RT}}$ . E.g. how to train a model for the local setup or how to specify pretrained model parameters. I would really appreciate, if all possible options were part of the documentation.

Kind regards,

Leon

sneumann commented 1 year ago

Hi, thanks for the feedback ! Indeed, documenting the retention time would be great. Bad news: we didn't, as there are multiple options. Good news: You can use a method of your choice out there. Are you looking for the Command Line interface or the Web interface ? Yours, Steffen

LeonSaal commented 1 year ago

Hi Steffen, thank you for your answer. I'm glad, there are good news! I am looking for information on the CLI.

Kind regards,

Leon