"runtime/git@developer.sourcefind.cn:OpenDAS/dynamo.git" did not exist on "26f6008a87c045d43736b532c9ab16b7033991c3"
Commit 624b5aa6 authored by Sachin Kadyan's avatar Sachin Kadyan
Browse files

Added switch for sequence embedding mode to the PDB file pipeline.

- In `seqemb_mode`, `process_pdb` loads sequence embedding for the PDB's protein, and a dummy MSA
parent 29962990
...@@ -753,6 +753,7 @@ class DataPipeline: ...@@ -753,6 +753,7 @@ class DataPipeline:
chain_id: Optional[str] = None, chain_id: Optional[str] = None,
_structure_index: Optional[str] = None, _structure_index: Optional[str] = None,
alignment_index: Optional[str] = None, alignment_index: Optional[str] = None,
seqemb_mode: bool = False,
) -> FeatureDict: ) -> FeatureDict:
""" """
Assembles features for a protein in a PDB file. Assembles features for a protein in a PDB file.
...@@ -786,9 +787,15 @@ class DataPipeline: ...@@ -786,9 +787,15 @@ class DataPipeline:
self.template_featurizer, self.template_featurizer,
) )
msa_features = self._process_msa_feats(alignment_dir, input_sequence, alignment_index) sequence_embedding_features = {}
# If in sequence embedding mode, generate dummy MSA features using just the input sequence
if seqemb_mode:
msa_features = make_dummy_msa_feats(input_sequence)
sequence_embedding_features = self._process_seqemb_features(alignment_dir)
else:
msa_features = self._process_msa_feats(alignment_dir, input_sequence, alignment_index)
return {**pdb_feats, **template_features, **msa_features} return {**pdb_feats, **template_features, **msa_features, **sequence_embedding_features}
def process_core( def process_core(
self, self,
......
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