Bug in Similarity Search Node

Hi,

There seems to be a bug in the similarity node when you request only similars within a range to be returned. The similarity values all come back as "?" (see screenshot). When you turn the range filter off, but leave all other settings the same, everything looks fine.

Thanks,

Natasja

Hi Natasja, 

It looks like there is something funny going on with your data.  The operations you describe seem to work fine on my system.  Could it be that you are getting the reuslt for a missing structure?  If so, would it be possible to filter those out beforehand?  

Regards,

Aaron

Hi Aaron,

No missing structures, but maybe this happens when you only have similars outside of the range. 

Here's an example where I'm pulling 5 similars:

And here's the same compound when I set the range from 0.7-1:

Thanks,

Natasja

Yes, that is it, thanks for the additional info.  In the case of finding no neighbors, what would you expect as the output? 

Hi Aaron,

Removal of the row/compound that doesn't have similars in the required range was what I was expecting. Maybe a 2nd port that captures those, with the closest similar & similarity value would be the ultimate solution?

Thanks,

Natasja