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Add: Adjusted the data_loeades.py to handle non-numeric data for mode… #4

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Add: Adjusted the data_loeades.py to handle non-numeric data for mode… #4

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4 changes: 2 additions & 2 deletions lee_et_al_2023/requirements.txt
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Expand Up @@ -3,11 +3,11 @@ CairoSVG==2.7.0
matplotlib
nbmake
numpy
pandas==1.5.3
pandas
pytest
rdkit
# Scikit may require special install procedures on; e.g. M1 macbooks.
scikit-learn
seaborn==0.11.1
seaborn
statsmodels==0.13.5
tqdm==4.61.0
5 changes: 4 additions & 1 deletion lee_et_al_2023/src/data_loaders.py
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Expand Up @@ -74,7 +74,10 @@ def get_clean(filter=True):
# Select the humans that rated at least some of these SMILES
subjects = humans['SubjectCode'].unique()

panel = humans.groupby('RedJade Code').mean().loc[mol_codes, base.MONELL_CLASS_LIST]
# Filter to numeric columns only before calculating mean
numeric_cols = humans.select_dtypes(include='number').columns
panel = humans.groupby('RedJade Code')[numeric_cols].mean().loc[mol_codes, base.MONELL_CLASS_LIST]


return models, humans, panel, subjects

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