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import moses | |
from moses import metrics | |
import pandas as pd | |
def _compute(self, list_of_generated_smiles): | |
test_set = moses.get_dataset('test') | |
preprocessed_smiles = [smile for smile in list_of_generated_smiles if moses.utils.canonicalize_smiles(smile)] | |
results = metrics.get_all_metrics(preprocessed_smiles, test_set) | |
return results | |