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DrugDesign Data Analysis
Module of the DrugDesign project responsible for loading and pre-processing data from ChEMBL and PubChem
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Namespaces | |
| namespace | functions |
Functions | |
| functions.DownloadCompoundsByMWRange (int less_limit, int greater_limit, str results_folder_name) | |
| pd.DataFrame | functions.ExpandedFromDictionariesCompoundsDF (pd.DataFrame data) |
| QuerySet | functions.QuerySetCompoundsByMWRange (int less_limit, int greater_limit) |
| functions.SaveChEMBLMolfilesToSDFByIdList (list[str] molecule_chembl_id_list, str file_name, pd.DataFrame extra_data=pd.DataFrame()) | |