does this work with python3?

[UnixJunkie]

Traceback (most recent call last):
  File "~/src/molenc/bin/molenc_qed.py", line 52, in <module>
    main()
  File "~/src/molenc/bin/molenc_qed.py", line 44, in main
    score = qed.default(mol)
  File "~/.local/lib/python3.10/site-packages/qed/qed.py", line 269, in default
    return weights_mean(mol, gerebtzoff)
  File "~/.local/lib/python3.10/site-packages/qed/qed.py", line 252, in weights_mean
    return qed([0.66, 0.46, 0.05, 0.61, 0.06, 0.65, 0.48, 0.95], props, gerebtzoff)
  File "~/.local/lib/python3.10/site-packages/qed/qed.py", line 227, in qed
    d[i] = ads(p[i], pads1[i][0], pads1[i][1], pads1[i][2], pads1[i][3], pads1[i][4], pads1[i][5], pads1[i][6])
  File "~/.local/lib/python3.10/site-packages/qed/qed.py", line 194, in ads
    return ((a+(b/(1+exp(-1*(x-c+d/2)/e))*(1-1/(1+exp(-1*(x-c-d/2)/f))))) / dmax)
TypeError: unsupported operand type(s) for -: '_vectSt6vectorIiSaIiEE' and 'float'

[UnixJunkie]

the package in pip needs to be updated.
If I use the HEAD from git, it works fine.

[UnixJunkie]

i.e I had to install from sources.

[Aniket3000]

There is a commit pending basically i also had to debug a lot to make the code work

added len() around getSSSR

[UnixJunkie]

apparently, there is a version integrated into rdkit: https://github.com/rdkit/rdkit/blob/master/rdkit/Chem/QED.py