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Running
Running
Update app.py
Browse files
app.py
CHANGED
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@@ -92,8 +92,8 @@ def run_inference(mode: str, model_name: str, num_molecules: int, seed_num: str,
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else:
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# Classical Generation mode
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config.sample_num = num_molecules
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if config.sample_num >
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raise gr.Error("You have requested to generate more than the allowed limit of
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if seed_num is None or seed_num.strip() == "":
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config.seed = random.randint(0, 10000)
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else:
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@@ -276,11 +276,11 @@ For more details, see our [paper on arXiv](https://arxiv.org/abs/2302.07868).
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num_molecules = gr.Slider(
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minimum=10,
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maximum=
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value=100,
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step=10,
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label="Number of Molecules to Generate",
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info="This space runs on a CPU, which may result in slower performance. Generating
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)
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seed_num = gr.Textbox(
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@@ -359,7 +359,7 @@ For more details, see our [paper on arXiv](https://arxiv.org/abs/2302.07868).
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# Set up the click actions for each tab.
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classical_submit.click(
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run_inference,
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inputs=[gr.
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outputs=[
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image_output,
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file_download,
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@@ -368,10 +368,10 @@ For more details, see our [paper on arXiv](https://arxiv.org/abs/2302.07868).
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],
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api_name="inference_classical"
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)
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-
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custom_submit.click(
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run_inference,
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inputs=[gr.
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outputs=[
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image_output_custom,
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file_download_custom,
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else:
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# Classical Generation mode
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config.sample_num = num_molecules
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if config.sample_num > 250:
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raise gr.Error("You have requested to generate more than the allowed limit of 250 molecules. Please reduce your request to 250 or fewer.")
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if seed_num is None or seed_num.strip() == "":
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config.seed = random.randint(0, 10000)
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else:
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num_molecules = gr.Slider(
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minimum=10,
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maximum=250,
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value=100,
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step=10,
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label="Number of Molecules to Generate",
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info="This space runs on a CPU, which may result in slower performance. Generating 200 molecules takes approximately 6 minutes. Therefore, we set a 250-molecule cap."
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)
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seed_num = gr.Textbox(
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# Set up the click actions for each tab.
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classical_submit.click(
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run_inference,
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inputs=[gr.Variable("Generate Molecules"), model_name, num_molecules, seed_num, gr.Textbox.update(value="")],
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outputs=[
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image_output,
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file_download,
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],
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api_name="inference_classical"
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)
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+
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custom_submit.click(
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run_inference,
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inputs=[gr.Variable("Custom Input SMILES"), model_name_custom, 0, gr.Textbox.update(value=""), custom_smiles],
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outputs=[
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image_output_custom,
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file_download_custom,
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