get_chemreps_df

get_chemreps_df(version: VersionHint | None = None, *, prefix: Sequence[str] | None = None) → pandas.DataFrame

Download and parse the latest ChEMBL chemical representations file.

Parameters:

• version – The version number of ChEMBL to get. If none specified, uses latest() to look up the latest.

• prefix – The directory inside pystow to use

Returns:

A dataframe with four columns: 1. chembl_id 2. canonical_smiles 3. standard_inchi 4. standard_inchi_key