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Enzo Reis de Oliveira
commited on
Commit
·
8650a46
1
Parent(s):
cb4cd4f
Fixing bug on pandas
Browse files
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 (
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@@ -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)
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