Enzo Reis de Oliveira commited on
Commit
f3e37c7
·
1 Parent(s): 5465560

Correcting title

Browse files
Files changed (1) hide show
  1. app.py +4 -4
app.py CHANGED
@@ -51,16 +51,16 @@ def process_inputs(smiles: str, file_obj):
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  df_out.to_csv("embeddings.csv", index=False)
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  return json.dumps(vec), gr.update(value="embeddings.csv", visible=True)
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  except Exception as e:
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- return f"Error generating embedding: {e}", gr.update(visible=False)
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  # 4) Build the Gradio Blocks interface
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  with gr.Blocks() as demo:
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  gr.Markdown(
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  """
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- # SMI-TED Embedding Generator
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  **Single mode:** paste a SMILES string in the left box.
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  **Batch mode:** upload a CSV file where each row has a SMILES in the first column.
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- In both cases, an `embeddings.csv` file will be generated for download, with the first column as SMILES and the embedding values in the following columns.
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  """
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  )
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@@ -68,7 +68,7 @@ with gr.Blocks() as demo:
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  smiles_in = gr.Textbox(label="SMILES (single mode)", placeholder="e.g. CCO")
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  file_in = gr.File(label="SMILES CSV (batch mode)", file_types=[".csv"])
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- generate_btn = gr.Button("Generate Embeddings")
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  with gr.Row():
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  output_msg = gr.Textbox(label="Message / Embedding (JSON)", interactive=False, lines=2)
 
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  df_out.to_csv("embeddings.csv", index=False)
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  return json.dumps(vec), gr.update(value="embeddings.csv", visible=True)
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  except Exception as e:
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+ return f"Error extracting embedding: {e}", gr.update(visible=False)
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  # 4) Build the Gradio Blocks interface
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  with gr.Blocks() as demo:
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  gr.Markdown(
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  """
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+ # SMI-TED-Embeddings-Extraction
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  **Single mode:** paste a SMILES string in the left box.
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  **Batch mode:** upload a CSV file where each row has a SMILES in the first column.
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+ In both cases, an `embeddings.csv` file will be extracted for download, with the first column as SMILES and the embedding values in the following columns.
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  """
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  )
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  smiles_in = gr.Textbox(label="SMILES (single mode)", placeholder="e.g. CCO")
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  file_in = gr.File(label="SMILES CSV (batch mode)", file_types=[".csv"])
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+ generate_btn = gr.Button("Extract Embeddings")
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  with gr.Row():
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  output_msg = gr.Textbox(label="Message / Embedding (JSON)", interactive=False, lines=2)