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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 11 months ago

data
Upload data/train-00000-of-00001-b7bb96d1fe9cf11c.parquet with huggingface_hub 11 months ago
.gitattributes

2.5 kB

Add final project files 11 months ago
5ht_ki_prediction.py

1.41 kB

Added proper dataset loader, data folder, and README for Hugging Face dataset compatibility 11 months ago
KiDatabase.csv

23.9 MB
xet

Add final project files 11 months ago
README.md

1.93 kB

Update README.md 11 months ago
curated_ki_database.csv

1.2 MB
xet

Add final project files 11 months ago
fingerprints_with_ki.csv

46.7 MB
xet

Add final project files 11 months ago
h2o_test_predictions.csv

40.7 kB
xet

Add H2O AutoML test predictions 11 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 11 months ago
test_predictions.csv

57.4 kB
xet

Add final project files 11 months ago
train_automl_h2o.py

1.26 kB

Add H2O AutoML training script 11 months ago
train_model.ipynb

828 kB

Add final project files 11 months ago