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change reference filepath in chembl_drugs docstring
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stwhitfield committed Oct 19, 2023
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2 changes: 1 addition & 1 deletion datamol/data/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -197,7 +197,7 @@ def chembl_drugs(as_df: bool = True) -> Union[List[Mol], pd.DataFrame]:
"""A list of ~2.5k molecules from ChEMBL (all approved drugs) in SMILES format.
Includes metadata indicating year of first approval, molecule chembl id, molecule type and pref_name.
List was generated with [Get_ChEMBL_Approved_Drugs.ipynb](notebooks/Get_ChEMBL_Approved_Drugs.ipynb) on 2023-10-18.
List was generated with [Get_ChEMBL_Approved_Drugs.ipynb](../notebooks/Get_ChEMBL_Approved_Drugs.ipynb) on 2023-10-18.
The notebook works with the chembl_webresource_client api to collect chembl IDs and metadata, then focuses on small molecules with valid SMILES and first approval date.
"""
with open_datamol_data_file("chembl_approved_drugs.parquet") as f:
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