Spaces:
Running
Running
Enzo Reis de Oliveira
commited on
Commit
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68704e5
1
Parent(s):
6b91e18
Better error message
Browse files
app.py
CHANGED
@@ -35,6 +35,12 @@ def process_inputs(smiles: str, file_obj):
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smiles_col = smiles_cols[0]
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smiles_list = df_in[smiles_col].astype(str).tolist()
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embeddings = []
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for sm in smiles_list:
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vec = model.encode(sm, return_torch=True)[0].tolist()
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@@ -62,8 +68,7 @@ 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"
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-
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# 4) Build the Gradio Blocks interface
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with gr.Blocks() as demo:
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smiles_col = smiles_cols[0]
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smiles_list = df_in[smiles_col].astype(str).tolist()
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if (len(smiles_list) > 100):
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return (
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"Error: The CSV must have up to 100 Smiles.",
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gr.update(visible=False),
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)
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embeddings = []
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for sm in smiles_list:
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vec = model.encode(sm, return_torch=True)[0].tolist()
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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"The following input '{smiles}' is not a valid SMILES"
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# 4) Build the Gradio Blocks interface
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with gr.Blocks() as demo:
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