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5HT_Ki_Prediction

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cheminformatics

binding-affinity

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5HT_Ki_Prediction

110 MB

2 contributors

History: 11 commits

sarahantgan's picture

Update README.md

93f3ef0 verified 6 months ago

data
Upload data/train-00000-of-00001-b7bb96d1fe9cf11c.parquet with huggingface_hub 6 months ago
.gitattributes

2.5 kB

Add final project files 6 months ago
5ht_ki_prediction.py

1.41 kB

Added proper dataset loader, data folder, and README for Hugging Face dataset compatibility 6 months ago
KiDatabase.csv

23.9 MB
xet

Add final project files 6 months ago
README.md

1.93 kB

Update README.md 6 months ago
curated_ki_database.csv

1.2 MB
xet

Add final project files 6 months ago
fingerprints_with_ki.csv

46.7 MB
xet

Add final project files 6 months ago
h2o_test_predictions.csv

40.7 kB
xet

Add H2O AutoML test predictions 6 months ago
rf_model.pkl
Detected Pickle imports (6)
- "sklearn.ensemble._forest.RandomForestRegressor",
- "numpy.ndarray",
- "joblib.numpy_pickle.NumpyArrayWrapper",
- "sklearn.tree._classes.DecisionTreeRegressor",
- "sklearn.tree._tree.Tree",
- "numpy.dtype"
How to fix it?
12.9 MB
xet

Add final project files 6 months ago
test_predictions.csv

57.4 kB
xet

Add final project files 6 months ago
train_automl_h2o.py

1.26 kB

Add H2O AutoML training script 6 months ago
train_model.ipynb

828 kB

Add final project files 6 months ago