How to access PubChem from python modules

I’m trying to retrieve coordinates for molecules from the PubChem database through a jupyter notebook.

The documentation uses the following syntax to access PubChem, but I’m not sure how to implement this as part of a python module.

molecule benzene {
pubchem:benzene
}

‘Psi4.geometry(“pubchem:benzene”)’

On a phone, sorry for the truncated answer.

This resulted in the following error message for me.

File “”, line 2
psi4.geometry(“pubchem:benzene”)
^
SyntaxError: invalid character in identifier

However, using three quotations, as used in the other psithon geometry examples was successful. Thanks!

psi4.geometry(“““pubchem:benzene”””)

There’s absolutely no reason why doing what Daniel said correctly should throw that error. My guess is that you used smart-quotes for Python rather than the raw " characters.

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