You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
I'm not sure you you need to force uniqueness in such a way. It look like the method will apply its own unique cids (CMP1, CNP2...) anyway. Or, as I do, one can reassign cid with one's own unique ID set.
I think
SimilarityClustering.R#prep
line:is not used at the moment, right? If it is so, I'd propose to remove it since it causes problems with some SDF libraries:
This is probably connected to the fact that these libraries do not have anything in the molecule definition's 1st header line (blank molecule id).
The text was updated successfully, but these errors were encountered: