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Update README.md

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  1. README.md +6 -6
README.md CHANGED
@@ -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: "Label"
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  dtype:
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  class_label:
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  names:
@@ -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', 'label'],
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  num_rows: 594
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  })
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  train: Dataset({
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- features: ['SMILES', 'label'],
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  num_rows: 1788
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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": ['Label']}})
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  model.train(split_featurised_dataset["train"])
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  preds = model.predict(split_featurised_dataset["test"])
@@ -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"]['Label'],
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- predictions=preds["cat_boost_classifier::Label"])
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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: