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conda install -c rdkit -c mordred-descriptor mordred
installed the newest version of networkx(2.4.0, as for today). But biconnected_component_subgraphs
is already depricated in networkx (>2.1.0).
minimal reproduction code
I installed mordred via conda as following,
conda create -n mordred python=3.8
conda activate mordred
conda install -c rdkit -c mordred-descriptor mordred
and then I ran the following code.
from mordred import Calculator, descriptors
from rdkit import Chem
smiles = "c1ccccc1"
calc = Calculator(descriptors, ignore_3D=True)
df = calc.pandas([Chem.MolFromSmiles(smiles)])
df["DetourIndex"] # this returns "module 'networkx' has no attribute 'biconnected_component_subgraphs"
environment
macOS High Sierra 10.13.6
conda version : 4.8.2
Best regards,
Shunsuke
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