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Update README.md

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  1. README.md +4 -4
README.md CHANGED
@@ -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: ['new SMILES', 'label'],
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  num_rows: 594
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  })
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  train: Dataset({
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- features: ['new SMILES', 'label'],
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  num_rows: 1788
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  })
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  })
@@ -121,13 +121,13 @@ Split and evaluate the catboost model
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  split_featurised_dataset = featurise_dataset(
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  split_dataset,
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- column = "new SMILES",
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  representations = load_representations_from_dicts([{"name": "morgan"}, {"name": "maccs_rdkit"}]))
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  model = load_model_from_dict({
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  "name": "cat_boost_classifier",
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  "config": {
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- "x_features": ['new SMILES::morgan', 'new SMILES::maccs_rdkit'],
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  "y_features": ['Label']}})
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  model.train(split_featurised_dataset["train"])
 
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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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  })
 
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  split_featurised_dataset = featurise_dataset(
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  split_dataset,
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+ column = "SMILES",
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  representations = load_representations_from_dicts([{"name": "morgan"}, {"name": "maccs_rdkit"}]))
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  model = load_model_from_dict({
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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"])