-
Hi!
I'd like to express our gratitude for the project you've provided, from which we've gained significant insights.
We've encountered an issue during our use of SIRIUS for calculating CSI:FingerID.…
-
On my work computer on Windows 10, `./sirius --help` (or any other way to start SIRIUS, such as the GUI) takes several minutes (>6 min, see log below).
On my (much less powerful) home computer on Win…
-
hi,I already have 20,000 GNPS data, and I have used sirius to calculate the fragment tree. If I want to use shen2014_ISMB2014.py, do I need to write an gnps's parser.py about the gnps dataset myself？
-
..to compare classyfire output for features with both ms2 and csi smiles
-
Hi,
running the standard test example in shen_ISMB2014.py is fine, changing the input to "metlin_trees" will run for a while and then create the following error below. So I guess I am missing the cor…
-
When executing the test `TOPP_SiriusAdapter_1` (and many others using sirius) in a conda environment I get the following:
```
stderr:
Error: Unexpected internal error (Sirius was executed, b…
-
We have tried to run the latest docker image for MSnovelist in Ubuntu22.04 and 20.04…
-
Hi, I am trying to employ MSNovelist with my own data to check how it works. I am using and .mgf file obtained filtering the .raw data (from thermo) with MZmine, then with the exported .mgf file, I r…
-
Hello rcdk,
I am querying the CDK chemical properties using smiles generated using the CSI:FingerID module of Sirius. For some reason, I get "0" for number of aromatic atoms and bonds for every met…
-
hello
I am analyzing the same metabolite using sirius 5.8.7 and 6.0.0 respectively, but it gives two different results, while sirius 5.8.7 gives the correct result, why is that?
![image](https://gi…