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add simple representation modifications #1

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8e9d405
add simple representation modifications
stephprince Jan 26, 2024
1a09e90
move manipulation code to metfish repo
stephprince Feb 12, 2024
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8 changes: 7 additions & 1 deletion alphafold/model/model.py
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Original file line number Diff line number Diff line change
Expand Up @@ -29,6 +29,7 @@
import tensorflow.compat.v1 as tf
import tree


class RunModel:
"""Container for JAX model."""

Expand Down Expand Up @@ -123,7 +124,8 @@ def predict(self,
random_seed: int = 0,
return_representations: bool = False,
fix_single_representation: bool = True,
callback: Any = None) -> Mapping[str, Any]:
callback: Any = None,
manipulation_callback: Any = None) -> Mapping[str, Any]:
"""Makes a prediction by inferencing the model on the provided features.

Args:
Expand Down Expand Up @@ -199,6 +201,10 @@ def _jnp_to_np(x):
# callback
if callback is not None: callback(result, r)

# modify prev representations to use in next recycling iteration
if manipulation_callback is not None:
prev = manipulation_callback(prev)

# decide when to stop
if result["ranking_confidence"] > self.config.model.stop_at_score:
break
Expand Down