I updated the CI and improved a but the wrapper. However, its not working and I don't understand really why the Python wrapper is needed.

@Tomnl can you help here?

Hi @bgruening - thanks for this! I think there were some big changes in the CLI for SIRIUS v5.8.6 compared to v4.9.8 (Including permissions for how to connect to the CSI:FingerID online server) so expecting the version update to break a few things.

In terms of Python wrapper - originally that was just the easiest way to make sure the tool could be used with the MSP files generated as part of our annotation workflow - but arguably should be updated to use the SIRIUS CLI now without the Python wrapping.

@RJMW - was planning to do some work on this, so I think will pick this up soon

Cool, thanks! The current version is not working I think, as the server is not reachable anymore and we have now a few users that starts to nag us :)

Thanks for working on it, let us know if we can help.