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@janumiko janumiko commented Jun 9, 2025

Summary

Replaced the super long python file with a single constant list with a loading of csv file stored in /data.

Add entries about data sources to readme.

Why

I think it's better to have this in a separate file in data than having a super long 16k line python file.

Tests

image

@janumiko janumiko requested review from Kowalski1024 and tdadela June 9, 2025 21:31
@janumiko janumiko changed the title [refactor] replace popular_smiles_dataset.py list with loading of a h… [refactor] replace popular_smiles_dataset.py a hdf5 file Jun 9, 2025
@janumiko janumiko force-pushed the janumiko/remove_popular_smiles branch 3 times, most recently from e81bcdc to f671fbf Compare June 9, 2025 22:00
@janumiko janumiko changed the title [refactor] replace popular_smiles_dataset.py a hdf5 file [refactor] replace popular_smiles_dataset.py a csv file Jun 9, 2025
@janumiko janumiko force-pushed the janumiko/remove_popular_smiles branch from f671fbf to 45c68a0 Compare June 9, 2025 22:01
@janumiko janumiko merged commit 91fb147 into main Jun 9, 2025
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3 participants