wenhao-gao commited on
Commit ·
1b7c1ca
1
Parent(s): f57c985
update
Browse files
app.py
CHANGED
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@@ -17,7 +17,7 @@ last_result = {}
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# Function to clear all inputs
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def clear_inputs():
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# Return default or empty values to reset each input component
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return None,
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def sample(smi, search_width, exhaustiveness):
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result_df = run_sampling_one_cpu(
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@@ -58,7 +58,7 @@ with gr.Blocks() as demo:
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# Demo of [SynFormer](https://github.com/wenhao-gao/synformer/tree/main)
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This page demonstrates the SynFormer-ED model, which takes a molecule as input—regardless of its synthetic accessibility—and outputs
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identical or approximate molecules along with their associated synthetic paths. The demo runs on CPUs and typically takes about
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one minute per run but can be accelerated by reducing the search width and exhaustiveness. The model may take longer if the server
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is busy. Since the sampling is stochastic, you may run the demo multiple times to explore different results, with a maximum of
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30 molecules displayed at once.
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To learn more about SynFormer’s architecture and applications, check out [our paper](https://github.com/wenhao-gao/synformer/tree/main).
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@@ -68,8 +68,8 @@ with gr.Blocks() as demo:
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with gr.Row():
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with gr.Column(scale=0.5):
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input_molecule = molecule2d(label="SMILES Input")
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slider_1 = gr.Slider(minimum=1, maximum=100, step=1, label="Search Width", value=
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slider_2 = gr.Slider(minimum=1, maximum=100, step=1, label="Exhaustiveness", value=
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with gr.Row():
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with gr.Column(scale=0.5):
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@@ -119,4 +119,4 @@ with gr.Blocks() as demo:
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outputs=[input_molecule, slider_1, slider_2, index_slider]
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)
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demo.launch()
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# Function to clear all inputs
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def clear_inputs():
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# Return default or empty values to reset each input component
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return None, 8, 8, 0
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def sample(smi, search_width, exhaustiveness):
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result_df = run_sampling_one_cpu(
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# Demo of [SynFormer](https://github.com/wenhao-gao/synformer/tree/main)
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This page demonstrates the SynFormer-ED model, which takes a molecule as input—regardless of its synthetic accessibility—and outputs
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identical or approximate molecules along with their associated synthetic paths. The demo runs on CPUs and typically takes about
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one minute per run on local machine, but can be accelerated by reducing the search width and exhaustiveness. The model may take longer if the server
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is busy. Since the sampling is stochastic, you may run the demo multiple times to explore different results, with a maximum of
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30 molecules displayed at once.
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To learn more about SynFormer’s architecture and applications, check out [our paper](https://github.com/wenhao-gao/synformer/tree/main).
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with gr.Row():
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with gr.Column(scale=0.5):
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input_molecule = molecule2d(label="SMILES Input")
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slider_1 = gr.Slider(minimum=1, maximum=100, step=1, label="Search Width", value=8)
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slider_2 = gr.Slider(minimum=1, maximum=100, step=1, label="Exhaustiveness", value=8)
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with gr.Row():
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with gr.Column(scale=0.5):
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outputs=[input_molecule, slider_1, slider_2, index_slider]
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)
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demo.launch()
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