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module 'rdkit.Chem' has no attribute 'MolsFromCDXMLFile'

Open liushili0319 opened this issue 1 year ago • 5 comments


Description: RDKit Version: 2023.03.02 Platform: windows When I used 'MolsFromCDXMLFile' , it returns an error of moduld ''rdkit.Chem' has no attribute 'MolsFromCDXMLFile'

liushili0319 avatar Jul 03 '23 08:07 liushili0319

How did you install the RDKit?

greglandrum avatar Jul 03 '23 09:07 greglandrum

How did you install the RDKit?

I installed Rdkit through conca

liushili0319 avatar Jul 04 '23 03:07 liushili0319

How did you install the RDKit?

I installed Rdkit through conca

I am trying to parse a chemical generation route using Rdkit, and I want to know if Rdkit can parse the complete route without losing information

liushili0319 avatar Jul 04 '23 03:07 liushili0319

I installed RDKit with conda, and I have the same problem. It could be a version issue since the conda install gives me: rdkit.__version__ as 2022.03.5

installing it with pip fixes that issue by installing version '2023.09.5'

ypotier avatar Apr 08 '24 18:04 ypotier

If conda doesn't automatically update, you can install the newer version by specifying it: mamba install rdkit=2024.03 or conda install rdkit=2024.03

greglandrum avatar Apr 09 '24 04:04 greglandrum