sometimes, a pka value is listed as "tensor(x)" instead of just the float value x

[UnixJunkie]

I think this is a kind of bug in the sdf output files created by qupkake

[ghutchis]

I'm not sure I've seen that. What package versions are you using? It probably wouldn't be too hard to check the types, but it's sometimes hard to track the origin of e.g., tensor(x) for a prediction.

[UnixJunkie]

I'll first have to find a public molecule that reproduces the problem...

[penghe-rutgers]

This is a molecule I have tried with the same issue
CN1C2=C(C=C(Cl)C=C2)C(=NCC1=O)C1=CC=CC=C1