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Update gradio_app.py
Browse files- gradio_app.py +7 -3
gradio_app.py
CHANGED
@@ -50,7 +50,7 @@ def function(model_name: str, num_molecules: int, seed_num: int) -> tuple[PIL.Im
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'''
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config = model_configs[model_name]
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config.
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config.seed = seed_num
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inferer = Inference(config)
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@@ -69,8 +69,12 @@ def function(model_name: str, num_molecules: int, seed_num: int) -> tuple[PIL.Im
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generated_molecule_list = inference_drugs.split("\n")
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rng = random.Random(seed)
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selected_molecules = [Chem.MolFromSmiles(mol) for mol in selected_molecules]
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drawOptions = Draw.rdMolDraw2D.MolDrawOptions()
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'''
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config = model_configs[model_name]
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config.sample_num = num_molecules
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config.seed = seed_num
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inferer = Inference(config)
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generated_molecule_list = inference_drugs.split("\n")
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rng = random.Random(config.seed)
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if num_molecules > 12:
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selected_molecules = rng.choices(generated_molecule_list, k=12)
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else:
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selected_molecules = rng.choices(generated_molecule_list, k=num_molecules)
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selected_molecules = [Chem.MolFromSmiles(mol) for mol in selected_molecules]
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drawOptions = Draw.rdMolDraw2D.MolDrawOptions()
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