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Updating documentation
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swansonk14 committed Dec 13, 2023
1 parent 55010a6 commit 7be7f9e
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion scripts/lookup_in_tdc.py
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Expand Up @@ -74,8 +74,8 @@ def lookup_in_tdc(
"""Look up molecules by SMILES in the TDC to identify their ADMET properties.
:param data_path: Path to a CSV file containing molecules to look up.
:param smiles_column: Column in data_path containing SMILES.
:param tdc_all_path: Path to a CSV file containing all TDC molecules and their ADMET properties.
:param smiles_column: Column in data_path containing SMILES.
:param tdc_smiles_column: Column in tdc_all_path containing SMILES.
:param save_path: Path to a CSV file where the data will be saved. If None, overwrites data_path.
"""
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