PSRK
Predictive Soave-Redlich-Kwong (PSRK) FragmentationModel implementation.
Import and use the PSRK FragmentationModel with:
from ugropy import psrk
# Get groups from molecule's name
tol = psrk.get_groups("toluene")
print(tol.subgroups)
# Get groups from molecule's SMILES
eth = psrk.get_groups("CCO", "smiles")
print(eth.subgroups)