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materialsvirtuallab / megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
BSD 3-Clause "New" or "Revised" License
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Fix openbabel imports for openbabel 3.x in utiles/molecule.py #307

Closed chgaul closed 2 years ago

chgaul commented 2 years ago

From https://open-babel.readthedocs.io/en/latest/UseTheLibrary/migration.html:

In OB 3.x, both openbabel.py and pybel.py live within the openbabel module:

import openbabel as ob import pybel

from openbabel import openbabel as ob from openbabel import pybel

chc273 commented 2 years ago

Thank you @chgaul