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refactor
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shariqm-modal committed Dec 5, 2024
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6 changes: 3 additions & 3 deletions 06_gpu_and_ml/protein-folding/boltz1.py
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# ## Fold a protein from the command line

# The logic for running Boltz1-1 is encapsulated in the function below,
# The logic for running Boltz-1 is encapsulated in the function below,
# which you can trigger from the command line by running

# ```shell
# modal run boltz1
# ```

# This will set up the environment for running Boltz1-1 inference in Modal's cloud,
# This will set up the environment for running Boltz-1 inference in Modal's cloud,
# run it, and then save the results remotely and locally. The results are returned
# are a tarball of many files including a
# [Crystallographic Information File](https://en.wikipedia.org/wiki/Crystallographic_Information_File) ,
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# ## Storing Boltz-1 model weights on Modal with Volumes

# Not all "dependencies" belong in a container image. Boltz-1, for example, depends on
# the weights of the model and a (Chemical Component Dictionary)[https://www.wwpdb.org/data/ccd] (CCD).
# the weights of the model and a (Chemical Component Dictionary)[https://www.wwpdb.org/data/ccd] (CCD) file.

# Rather than loading them dynamically at run-time (which would add several minutes of GPU time to each inference),
# or installing them into the image (which would require they be re-downloaded any time the other dependencies changed),
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