DrugDesign Data Analysis
https://gitlab.com/UmbrellaLeaf5/drugdesign_parsing
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functions.py File Reference

Namespaces

namespace  functions
 

Functions

 functions.DownloadCompoundsByMWRange (int less_limit=0, int greater_limit=12_546_42, str results_folder_name="results/compounds", str primary_analysis_folder_name="primary_analysis", bool need_primary_analysis=False, bool print_to_console=False)
 
pd.DataFrame functions.ExpandedFromDictionariesCompoundsDF (pd.DataFrame data)
 
QuerySet functions.QuerySetCompoundsByMWRange (int less_limit=0, int greater_limit=12_546_42)
 
None functions.SaveMolfilesToSDFByIdList (list[str] molecule_chembl_id_list, str file_name, pd.DataFrame extra_data=pd.DataFrame(), bool print_to_console=False)