Commit 2ba07feb authored by Sachin Kadyan's avatar Sachin Kadyan
Browse files

Added switch in the MMCIF processing pipeline for using sequence embeddings when in `seqemb` mode.

- Use sequence embedding files when in `seqemb` mode.
- Make dummy MSA features for MMCIF when using `seqemb` mode.
parent bc3ba06e
...@@ -702,6 +702,7 @@ class DataPipeline: ...@@ -702,6 +702,7 @@ class DataPipeline:
alignment_dir: str, alignment_dir: str,
chain_id: Optional[str] = None, chain_id: Optional[str] = None,
alignment_index: Optional[str] = None, alignment_index: Optional[str] = None,
seqemb_mode: bool = False,
) -> FeatureDict: ) -> FeatureDict:
""" """
Assembles features for a specific chain in an mmCIF object. Assembles features for a specific chain in an mmCIF object.
...@@ -727,9 +728,14 @@ class DataPipeline: ...@@ -727,9 +728,14 @@ class DataPipeline:
query_release_date=to_date(mmcif.header["release_date"]) query_release_date=to_date(mmcif.header["release_date"])
) )
sequence_embedding_features = {}
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) msa_features = self._process_msa_feats(alignment_dir, input_sequence, alignment_index)
return {**mmcif_feats, **template_features, **msa_features} return {**mmcif_feats, **template_features, **msa_features, **sequence_embedding_features}
def process_pdb( def process_pdb(
self, self,
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment