predict-fingerprints takes so much time, it is normal?

[ebervilla]

Hi everyone

I just installed q2-qemistree. I am trying to run it using the demo data. I successfully generate the i) fragmentation trees and ii) molecular formulas. However, when I try to predict the fingerprints, it takes so much time running and never ends. For example, I left it running overnight. is this normal?

Thank you so much for your help,

Cheers,
Eber

[helenamrusso]

Hi Eber,

Since the end of December, Sirius 4 has reached its end of life. Therefore, currently, Qemistree is not working.
We are now working on another update for Qemistree to connect with Sirius 5. We will let you know when we complete the update.

All the best,
Helena

[ebervilla]

Thank you so much for your answer Helena.

Is there any other way to use Qemistree?. I saw that you mentioned Proteomics2 platform in other of questions, but I tried to use it and it didn't work.

Thanks in advance,

Cheers,
Eber

[helenamrusso]

Hi Eber,

Yes, in Proteomics2 the workflow was working, but since Sirius 4 reached its end of life, it is not working now too. Unfortunately, none of the options (GNPS, Proteomics2, or as a plugin with Qiime2) are working now, and we are still working on a solution.

All the best,
Helena

[ebervilla]

Thanks Helena!