Enzo Reis de Oliveira commited on
Commit
8650a46
·
1 Parent(s): cb4cd4f

Fixing bug on pandas

Browse files
Files changed (1) hide show
  1. app.py +1 -3
app.py CHANGED
@@ -24,9 +24,8 @@ def process_inputs(smiles: str, file_obj):
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  # Se um arquivo CSV for fornecido, processa em batch
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  if file_obj is not None:
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  try:
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- df_in = pd.read_csv(file_obj.name)
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- # Procura coluna "smiles" (case‐insensitive), mas sem aceitar prefixes/sufixos
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  smiles_cols = [col for col in df_in.columns if col.lower() == "smiles"]
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  if not smiles_cols:
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  return (
@@ -41,7 +40,6 @@ def process_inputs(smiles: str, file_obj):
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  vec = model.encode(sm, return_torch=True)[0].tolist()
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  embeddings.append(vec)
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- # Constroi DataFrame de saída
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  out_df = pd.DataFrame(embeddings)
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  out_df.insert(0, "smiles", smiles_list)
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  out_df.to_csv("embeddings.csv", index=False)
 
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  # Se um arquivo CSV for fornecido, processa em batch
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  if file_obj is not None:
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  try:
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+ df_in = pd.read_csv(file_obj.name, sep=';')
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  smiles_cols = [col for col in df_in.columns if col.lower() == "smiles"]
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  if not smiles_cols:
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  return (
 
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  vec = model.encode(sm, return_torch=True)[0].tolist()
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  embeddings.append(vec)
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  out_df = pd.DataFrame(embeddings)
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  out_df.insert(0, "smiles", smiles_list)
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  out_df.to_csv("embeddings.csv", index=False)