code: def make_ensemble_list(molecules, score_field, ensemble_size):
      
  
      # generate list of queries
      queryList = molecules[0].scores.keys()
  
      # nchoosek
      ensemble_iterator = itertools.combinations(queryList, ensemble_size)
  
      # list of tuples: [(query1, query2), ... (queryN-1, queryN)
      ensembleList = []
  
      for ensemble in ensemble_iterator:
          ensembleList.append(ensemble)
  
      return ensembleList
docs: Construct ensemble list