--- /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']