Spaces:
Running
Running
Do not output df of angles -- this isn't very useful anyway
Browse files
app.py
CHANGED
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@@ -71,12 +71,16 @@ def sample_at_length(l:int, seed:int):
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"""
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torch.manual_seed(seed)
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l = int(l)
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s = sampling.sample_simple("wukevin/foldingdiff_cath", n=1, sweep_lengths=(l, l+1))[0]
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outdir = os.path.join(os.getcwd(), "output")
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os.makedirs(outdir, exist_ok=True)
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pdb_file = ac.create_new_chain_nerf(os.path.join(outdir, "generated.pdb"), s)
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interface = gr.Interface(
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fn=sample_at_length,
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@@ -87,7 +91,7 @@ interface = gr.Interface(
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outputs=[
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gr.HTML(),
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gr.File(label="Generated structure in PDB format (cartesian coordinates)"),
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gr.Dataframe(label="Generated angles defining structure", max_rows=8),
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],
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)
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interface.launch()
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"""
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torch.manual_seed(seed)
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l = int(l)
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+
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# Sample the angles
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s = sampling.sample_simple("wukevin/foldingdiff_cath", n=1, sweep_lengths=(l, l+1))[0]
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# Create a PDB file after building out the structure in 3D coordinates
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outdir = os.path.join(os.getcwd(), "output")
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os.makedirs(outdir, exist_ok=True)
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pdb_file = ac.create_new_chain_nerf(os.path.join(outdir, "generated.pdb"), s)
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return molecule(pdb_file), pdb_file
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interface = gr.Interface(
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fn=sample_at_length,
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outputs=[
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gr.HTML(),
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gr.File(label="Generated structure in PDB format (cartesian coordinates)"),
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# gr.Dataframe(label="Generated angles defining structure", max_rows=8),
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],
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)
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interface.launch()
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