Ming Wang

Sorry I missed this! Bouncing off of Robin's thinking, we have this for simple library search and MASST: http://fasst.gnps2.org/ I think real-time services is tough due to computational efficiency requirements...

Personally have not done straight TF, in Keras you can incrementally define batches to shoot over to GPU.

Its weird, its not in your code. Let me try to reproduce it better and get back to you. On Tue, Sep 19, 2023 at 8:12 PM Wout Bittremieux ***@***.***>...

Yes! Thanks Wout!

Hey Soren, Yeah GNPS Dashboard would be great for this. One issue is where would the data be coming from. GNPS Dashboard would need to know a priori a type...

Yes, there is the option available in the UI, but not specifically there in the API to make it nice and easy for you to use if someone can run...

Sorry to be late on the follow up, seems reasonable to add singletons into the graphml. we could add another file like we do for classic networking.

That is correct, this specific quickstart tutorial will be for classic molecular networking. It will be using it from here: https://gnps-quickstart.ucsd.edu/ We can also in the future support numbers 2,...

Thanks! Do you have an example Shimadzu files we can test with?

Here is a clustering at EPS 0.5. https://proteomics2.ucsd.edu/ProteoSAFe/result.jsp?task=690714c8c2434ab3ad76c6323bd0c4bd&view=view_results#%7B%22main._dyn_%23precursor_mz_lowerinput%22%3A%22327%22%2C%22main._dyn_%23precursor_mz_upperinput%22%3A%22328%22%7D Some examples: mzspec:GNPS:TASK-690714c8c2434ab3ad76c6323bd0c4bd-workflow_results/clustered_result.mgf:scan:362 mzspec:GNPS:TASK-690714c8c2434ab3ad76c6323bd0c4bd-workflow_results/clustered_result.mgf:scan:363