ColabFold / data /beta /folding.patch
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--- /content/alphafold_copy/alphafold/model/folding.py 2022-06-16 23:22:42.489230552 +0000
+++ /content/alphafold/alphafold/model/folding.py 2022-06-16 23:46:03.017505449 +0000
@@ -440,21 +440,17 @@
name='pair_layer_norm')(
representations['pair'])
- outputs = []
- safe_keys = safe_key.split(c.num_layer)
- for sub_key in safe_keys:
- activations, output = fold_iteration(
- activations,
- initial_act=initial_act,
- static_feat_2d=act_2d,
- safe_key=sub_key,
- sequence_mask=sequence_mask,
- update_affine=True,
- is_training=is_training,
- aatype=batch['aatype'])
- outputs.append(output)
+ def fold_iter(act, key):
+ return fold_iteration(act, initial_act=initial_act,
+ static_feat_2d=act_2d,
+ safe_key=prng.SafeKey(key),
+ sequence_mask=sequence_mask,
+ update_affine=True,
+ is_training=is_training,
+ aatype=batch['aatype'])
+ keys = jax.random.split(safe_key.get(), c.num_layer)
+ activations, output = hk.scan(fold_iter, activations, keys)
- output = jax.tree_map(lambda *x: jnp.stack(x), *outputs)
# Include the activations in the output dict for use by the LDDT-Head.
output['act'] = activations['act']