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push new db or demo version
Browse files- src/app.py +1 -1
- src/service.py +0 -1
src/app.py
CHANGED
@@ -45,7 +45,7 @@ class App:
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mols = [Chem.MolFromSmiles(m["smiles"]) for m in similar]
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legends = [
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f"{cls._truncated_attribute(m, 'name')}\n{m['category']}\n"
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-
f"{cls._truncated_attribute(m, 'smiles')}\n
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for m in similar
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]
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mols = [Chem.MolFromSmiles(m["smiles"]) for m in similar]
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legends = [
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f"{cls._truncated_attribute(m, 'name')}\n{m['category']}\n"
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+
f"{cls._truncated_attribute(m, 'smiles')}\n{m['score']:.2E}"
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for m in similar
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]
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src/service.py
CHANGED
@@ -92,7 +92,6 @@ class MolecularEmbeddingService:
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def _initialize_datastore(self):
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self.__create_hnsw_index()
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-
# self.__populate_sample_data(DATASET_SMILES)
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self.__populate_sample_data(ISOMER_DESIGN_SUBSET)
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def __create_hnsw_index(self):
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def _initialize_datastore(self):
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self.__create_hnsw_index()
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self.__populate_sample_data(ISOMER_DESIGN_SUBSET)
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def __create_hnsw_index(self):
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