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Updated app instructions
Browse files
app.py
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@@ -115,12 +115,16 @@ def comparison(SMILES):
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with gr.Blocks() as demo:
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gr.Markdown(
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"""
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# 3DGrid-VQGAN SMILES to 3D Grid Reconstruction
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In this demo, provide a SMILES to generate a 3D electron density grid of shape `128x128x128` and then the demo uses the 3DGrid-VQGAN model to reconstruct the original grid.
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To speed up the visualization process, we reduced the 3D grid size to `48x48x48`.
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_This is just a demo environment; for heavy-duty usage, please visit:_
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https://github.com/IBM/materials/tree/main/models/3dgrid_vqgan
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to download the model and run your own experiments.
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Please, be aware that long and complex SMILES sequences may take very long time to compute. Consider using simple SMILES molecules in this demo.
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"""
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)
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with gr.Blocks() as demo:
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gr.Markdown(
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"""
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+
# 3DGrid-VQGAN: SMILES to 3D Grid Reconstruction
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+
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In this demo, provide a SMILES to generate a 3D electron density grid of shape `128x128x128` and then the demo uses the 3DGrid-VQGAN model to reconstruct the original grid.
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+
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To speed up the visualization process, we reduced the 3D grid size to `48x48x48`.
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+
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_This is just a demo environment; for heavy-duty usage, please visit:_
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https://github.com/IBM/materials/tree/main/models/3dgrid_vqgan
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to download the model and run your own experiments.
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+
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Please, be aware that long and complex SMILES sequences may take very long time to compute. Consider using simple SMILES molecules in this demo.
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"""
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)
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