2024-06-12

PAMREIN's daily Open Notebook (COMMONS Lab)

Todo - Check Github

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Meetings

Daily report (What did I learn?)

Today I looked into the new complet predicted table. The dataframe has 1_185_136_695 rows and 3 columns ('ID', 'Reaction rules', 'predicted_SMILES').

I maybe see a problem with the rules. I am not 100% sure how unique they are. For example, if I concatenate them, that they have two different rules with the same name. Stupid... I provided a file with all the rules. So all the information comes from one file. This is good. :)

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