simonduerr commited on
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573f2cc
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1 Parent(s): fee06b2

Update app.py

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  1. app.py +24 -0
app.py CHANGED
@@ -6,6 +6,30 @@ from gradio_molecule3d import Molecule3D
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  from gradio_cofoldinginput import CofoldingInput
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  import os
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  @spaces.GPU(duration=120)
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  def predict(jobname, inputs, recycling_steps, sampling_steps, diffusion_samples):
 
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  from gradio_cofoldinginput import CofoldingInput
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  import os
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+ import urllib.request
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+
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+ CCD_URL = "https://huggingface.co/boltz-community/boltz-1/resolve/main/ccd.pkl"
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+ MODEL_URL = "https://huggingface.co/boltz-community/boltz-1/resolve/main/boltz1.ckpt"
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+
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+ cache = "~/.boltz"
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+ ccd = cache / "ccd.pkl"
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+ if not ccd.exists():
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+ click.echo(
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+ f"Downloading the CCD dictionary to {ccd}. You may "
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+ "change the cache directory with the --cache flag."
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+ )
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+ urllib.request.urlretrieve(CCD_URL, str(ccd)) # noqa: S310
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+
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+ # Download model
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+ model = cache / "boltz1.ckpt"
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+ if not model.exists():
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+ click.echo(
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+ f"Downloading the model weights to {model}. You may "
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+ "change the cache directory with the --cache flag."
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+ )
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+ urllib.request.urlretrieve(MODEL_URL, str(model)) # noqa: S310
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+
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+
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  @spaces.GPU(duration=120)
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  def predict(jobname, inputs, recycling_steps, sampling_steps, diffusion_samples):