haneulpark
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Update README.md
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README.md
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@@ -39,7 +39,7 @@ dataset_info:
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features:
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- name: "SMILES"
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dtype: string
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-
- name: "
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dtype:
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class_label:
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names:
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@@ -90,11 +90,11 @@ and inspecting the loaded dataset
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HematoxLong2023
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DatasetDict({
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test: Dataset({
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features: ['SMILES', '
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num_rows: 594
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})
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train: Dataset({
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features: ['SMILES', '
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num_rows: 1788
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})
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})
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@@ -128,7 +128,7 @@ Split and evaluate the catboost model
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"name": "cat_boost_classifier",
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"config": {
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"x_features": ['SMILES::morgan', 'SMILES::maccs_rdkit'],
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"y_features": ['
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model.train(split_featurised_dataset["train"])
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preds = model.predict(split_featurised_dataset["test"])
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@@ -136,8 +136,8 @@ Split and evaluate the catboost model
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classification_suite = load_suite("classification")
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scores = classification_suite.compute(
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references=split_featurised_dataset["test"]['
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predictions=preds["cat_boost_classifier::
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## Citation
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Cite this:
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features:
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- name: "SMILES"
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dtype: string
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- name: "Y"
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dtype:
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class_label:
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names:
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HematoxLong2023
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DatasetDict({
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test: Dataset({
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features: ['SMILES', 'Y'],
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num_rows: 594
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})
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train: Dataset({
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features: ['SMILES', 'Y'],
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num_rows: 1788
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})
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})
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"name": "cat_boost_classifier",
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"config": {
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"x_features": ['SMILES::morgan', 'SMILES::maccs_rdkit'],
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"y_features": ['Y']}})
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model.train(split_featurised_dataset["train"])
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preds = model.predict(split_featurised_dataset["test"])
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classification_suite = load_suite("classification")
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scores = classification_suite.compute(
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references=split_featurised_dataset["test"]['Y'],
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predictions=preds["cat_boost_classifier::Y"])
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## Citation
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Cite this:
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