Spaces:
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Running
Zhaohan Meng
commited on
Update app.py
Browse files
app.py
CHANGED
@@ -41,11 +41,11 @@ def simple_seq_from_structure(path: str) -> str:
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def smiles_to_selfies(smiles: str) -> Optional[str]:
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try:
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mol = Chem.MolFromSmiles(smiles)
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if mol is
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return
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return selfies.encoder(smiles)
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except:
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return
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def parse_config():
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p = argparse.ArgumentParser()
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@@ -493,10 +493,9 @@ with gr.Blocks(css=css) as demo:
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file_types=[".pdb", ".cif"],
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elem_id="structure-file"
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)
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drug_idx = gr.
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label="Drug atom
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precision=0,
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elem_id="drug-idx"
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)
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@@ -535,7 +534,7 @@ with gr.Blocks(css=css) as demo:
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outputs=[output_html]
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)
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clear_btn.click(
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fn=lambda: ("", "",
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inputs=[],
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outputs=[protein_seq, drug_seq, drug_idx, output_html]
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)
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def smiles_to_selfies(smiles: str) -> Optional[str]:
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try:
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mol = Chem.MolFromSmiles(smiles)
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if mol is "":
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return ""
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return selfies.encoder(smiles)
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except:
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return ""
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def parse_config():
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p = argparse.ArgumentParser()
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file_types=[".pdb", ".cif"],
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elem_id="structure-file"
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)
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drug_idx = gr.Textbox(
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label="Drug atom index (1-based)",
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lines=1,
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elem_id="drug-idx"
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)
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outputs=[output_html]
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)
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clear_btn.click(
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fn=lambda: ("", "", "", ""),
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inputs=[],
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outputs=[protein_seq, drug_seq, drug_idx, output_html]
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)
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