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rxn4chemistry / rxn_yields

Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc81d) and data augmentation strategies (https://doi.org/10.26434/chemrxiv.13286741).
https://rxn4chemistry.github.io/rxn_yields/
MIT License
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Can‘t find the Sukuzi-Miyaura data in the folder 'random_splits' #6

Closed lry124 closed 3 years ago

lry124 commented 3 years ago

The code is : df = pd.read_csv(f'../data/Suzuki-Miyaura/random_splits/{name}.tsv', sep='\t') but But in folder data/Suzuki-Miyaura/random_splits/, there is only file .gitkeep

pschwllr commented 3 years ago

Hi! If you ran the code in https://github.com/rxn4chemistry/rxn_yields/blob/master/nbs/01_data.ipynb, it would generate the 10 random splits.

As others might also run into the same issue, I have added the files to the data/Suzuki-Miyaura/random_splits folder.