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Update fragment.py
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hyunp2 authored Oct 18, 2023
1 parent 78fb138 commit 6a4844c
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15 changes: 15 additions & 0 deletions mofa/fragment.py
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from model import MOFRecord

def fragment_mof_linkers(
starting_model: str | Path,
examples: list[MOFRecord],
num_epochs: int
) -> Path:
"""Fragment linkers of MOFs
Args:
starting_model: Path to the starting weights of the model
examples: Seed examples of linkers (data model TBD)
num_epochs: Number of training epochs
Returns:
Path to the new model weights
"""
raise NotImplementedError()

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