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Merge pull request #7 from labstructbioinf/dev
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readme update
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Argusmocny authored Jun 9, 2023
2 parents 841198a + b894089 commit 248cd9b
Showing 1 changed file with 7 additions and 1 deletion.
8 changes: 7 additions & 1 deletion README.md
Original file line number Diff line number Diff line change
Expand Up @@ -76,12 +76,18 @@ embs = torch.load(emb_file)
# a self-comparison will be performed
seq1_emb, seq2_emb = embs[0], embs[0]

# all at once
# all at once - local alignments
extr = Extractor()
results = extr.embedding_to_span(emb1, emb2)
# remove redundant hits
results = aln.postprocess.filter_result_dataframe(results)

#all at once - global alignment
extr.BFACTOR = 'global'
# one alignment per protein pair
results = extr.embedding_to_span(emb1, emb2)


# step by step appraoch
# calculate embedding similarity aka substitution matrix
densitymap = aln.density.embedding_similarity(seq1_emb, seq2_emb)
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