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joewandy avatar joewandy commented on July 19, 2024

As a temporary fix, we've handled the KeyError here 55573d9.

But it would be better to do some kind of KEGG/HMDB/ChEBI lookup, instead of just skipping over the missing compounds.

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kmcluskey avatar kmcluskey commented on July 19, 2024

Chebi lookup is not much good as I think the std_cmpds coming from PiMP appear to have KEGG names. Can we lookup KEGG names and get the ID somehow?

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kmcluskey avatar kmcluskey commented on July 19, 2024

This now searches Kegg for a matching ID and issues a warning if one is not found.
bioservices needs to be installed and has been added to the Pipfile.

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