Update app.py
Browse files
app.py
CHANGED
@@ -35,7 +35,7 @@ def predict_stability_with_pdb(model_choice, organism_choice, pdb_files, cfg=Con
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"binary prediction value": []
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}
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file_names = []
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-
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for pdb_file in pdb_files:
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pdb_path = pdb_file.name
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@@ -49,9 +49,9 @@ def predict_stability_with_pdb(model_choice, organism_choice, pdb_files, cfg=Con
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sequence = sequences[2] if model_choice == "SaProt" else sequences[0]
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file_names.append(pdb_file.name.split("/")[-1])
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raw_prediction, binary_prediction = predict_stability_core(model_choice, organism_choice,
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results["file_name"] = results["file_name"] + file_names
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results["raw prediction value"] = results["raw prediction value"] + raw_prediction
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results["binary prediction value"] = results["binary prediction value"] + binary_prediction
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@@ -66,7 +66,7 @@ def predict_stability_with_sequence(model_choice, organism_choice, sequence, cfg
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try:
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if not sequence:
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return "No valid sequence provided."
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raw_prediction, binary_prediction = predict_stability_core(model_choice, organism_choice, sequence, cfg)
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df = pd.DataFrame({"sequence": sequence, "raw prediction value": raw_prediction, "binary prediction value": binary_prediction})
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output_csv = "/tmp/predictions.csv"
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df.to_csv(output_csv, index=False)
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"binary prediction value": []
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}
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file_names = []
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+
input_sequences = []
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for pdb_file in pdb_files:
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pdb_path = pdb_file.name
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sequence = sequences[2] if model_choice == "SaProt" else sequences[0]
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file_names.append(pdb_file.name.split("/")[-1])
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input_sequences.append(sequence)
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raw_prediction, binary_prediction = predict_stability_core(model_choice, organism_choice, input_sequences, cfg)
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results["file_name"] = results["file_name"] + file_names
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results["raw prediction value"] = results["raw prediction value"] + raw_prediction
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results["binary prediction value"] = results["binary prediction value"] + binary_prediction
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try:
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if not sequence:
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return "No valid sequence provided."
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raw_prediction, binary_prediction = predict_stability_core(model_choice, organism_choice, [sequence], cfg)
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df = pd.DataFrame({"sequence": sequence, "raw prediction value": raw_prediction, "binary prediction value": binary_prediction})
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output_csv = "/tmp/predictions.csv"
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df.to_csv(output_csv, index=False)
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