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AlexanderKroll / ESP

MIT License
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Missing Data #16

Closed Biologicalbigdata closed 10 months ago

Biologicalbigdata commented 10 months ago

Dear Authors, would you please provide the missing files: mol_folder = "C:\Users\alexk\mol-files\" mol = Chem.MolFromMolFile(mol_folder + "mol-files\" + met_ID + '.mol')

Best, Steve

AlexanderKroll commented 10 months ago

Dear Steve,

As you can see on the readme page of this repository, you need to download an additional data folder from zenodo (link is provided in the readme). Inside this folder you have a subfolder called mol_files, which is the folder you need. And then you have to change the path specified in the "mol_folder" variable. Let me know if anything is unclear.

Best, Alex