Datasets:
haneulpark
commited on
Commit
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56c06e4
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Parent(s):
b866f4b
Update README.md
Browse files
README.md
CHANGED
@@ -45,7 +45,7 @@ dataset_info:
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dtype: string
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- name: ID
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dtype: int64
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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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@@ -64,7 +64,7 @@ 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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@@ -110,11 +110,11 @@ and inspecting the loaded dataset
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>>> train_test
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DatasetDict({
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train: Dataset({
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features: ['SMILES', 'ID', '
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num_rows: 6862
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})
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test: Dataset({
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features: ['SMILES', 'ID', '
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num_rows: 1714
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})
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})
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@@ -148,7 +148,7 @@ then load, featurize, split, fit, and evaluate the a 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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@@ -157,8 +157,8 @@ then load, featurize, split, fit, and evaluate the a 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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dtype: string
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- name: ID
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dtype: int64
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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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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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>>> train_test
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DatasetDict({
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train: Dataset({
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features: ['SMILES', 'ID', 'Y', 'MW'],
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num_rows: 6862
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})
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test: Dataset({
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features: ['SMILES', 'ID', 'Y', 'MW'],
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num_rows: 1714
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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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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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