eacortes commited on
Commit
ad0eb4d
·
1 Parent(s): eb35c88

push new db or demo version

Browse files
Files changed (2) hide show
  1. src/app.py +1 -1
  2. 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({m['score']:.2E})"
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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):