--- /usr/local/lib/python3.7/dist-packages/alphafold/model/modules.py 2022-03-23 04:02:56.871333044 +0000 +++ alphafold/alphafold/model/modules.py 2022-03-23 04:04:16.081234108 +0000 @@ -341,17 +341,16 @@ compute_loss=compute_loss, ensemble_representations=ensemble_representations) + emb_config = self.config.embeddings_and_evoformer + prev = { + 'prev_pos': jnp.zeros( + [num_residues, residue_constants.atom_type_num, 3]), + 'prev_msa_first_row': jnp.zeros( + [num_residues, emb_config.msa_channel]), + 'prev_pair': jnp.zeros( + [num_residues, num_residues, emb_config.pair_channel]), + } if self.config.num_recycle: - emb_config = self.config.embeddings_and_evoformer - prev = { - 'prev_pos': jnp.zeros( - [num_residues, residue_constants.atom_type_num, 3]), - 'prev_msa_first_row': jnp.zeros( - [num_residues, emb_config.msa_channel]), - 'prev_pair': jnp.zeros( - [num_residues, num_residues, emb_config.pair_channel]), - } - if 'num_iter_recycling' in batch: # Training time: num_iter_recycling is in batch. # The value for each ensemble batch is the same, so arbitrarily taking @@ -378,7 +377,6 @@ body, (0, prev)) else: - prev = {} num_iter = 0 ret = do_call(prev=prev, recycle_idx=num_iter)