{"created":"2024-04-30T19:24:59.777263+00:00","id":"kgb8j-r5f84","links":{"files":"https://data.narodni-repozitar.cz/general/datasets/kgb8j-r5f84/files/","self":"https://data.narodni-repozitar.cz/general/datasets/kgb8j-r5f84","transitions":{}},"metadata":{"$schema":"https://data.narodni-repozitar.cz/schemas/nr_datasets/nr-datasets-v1.0.0.json","InvenioID":"kgb8j-r5f84","_bucket":"240c3d33-1ad0-4771-bcd1-48bba329b2f0","_files":[{"bucket":"240c3d33-1ad0-4771-bcd1-48bba329b2f0","checksum":"etag:","file_id":"e2c8c6dd-2798-48fc-975d-debcbaec86df","key":"lmi-30.tar.gz","mime_type":"application/gzip","name":"lmi-30.tar.gz","size":71424571288,"type":"application/gzip","url":"https://data.narodni-repozitar.cz/general/datasets/kgb8j-r5f84/files/lmi-30.tar.gz","version_id":"d74fbadc-f4a8-4175-9ca9-9fec0d454b31"}],"abstract":{"en":"<span id=\"docs-internal-guid-392a4c63-7fff-12eb-56a0-1f16a1da0bef\"><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; color: rgb(0, 0, 0); font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">The dataset contains proteins from AlphaFold DB v3 (</span><a href=\"https://alphafold.ebi.ac.uk/\"><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">https://alphafold.ebi.ac.uk/</span></a><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; color: rgb(0, 0, 0); font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">) encoded into one-dimensional vectors (embeddings). The embeddings encode proteins by their tertiary structure. Additional information is available at our GitHub (</span><a href=\"https://github.com/Coda-Research-Group/ProteinEmbeddingBenchmark\"><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">https://github.com/Coda-Research-Group/ProteinEmbeddingBenchmark</span></a><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; color: rgb(0, 0, 0); font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">).</span></span>"},"accessRights":[{"is_ancestor":false,"level":1,"links":{"self":"https://data.narodni-repozitar.cz/2.0/taxonomies/accessRights/c-abf2"},"relatedURI":{"COAR":"http://purl.org/coar/access_right/c_abf2"},"title":{"cs":"otev\u0159en\u00fd 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10.5pt; font-family: Roboto, sans-serif; color: rgb(68, 71, 70); font-weight: 700; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">Learned Indexing in Proteins: Substituting Complex Distance Calculations with Embedding and Clustering Techniques</span><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; color: rgb(68, 71, 70); font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">, proposed dividing the protein sequence into N consecutive sections \u2013 the positions of the atoms within each section are averaged, and the section is subsequently treated as a single point in space. 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white-space-collapse: preserve;\">The archive contains protein embeddings for 214M million proteins from AFDB v3. Protein data are divided into 25,339 batches of approximately 10,000 proteins in each. All data are stored in pickle format and can be opened as pandas Data Frame. To find a specific protein, use </span><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; color: rgb(0, 0, 0); font-weight: 700; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">batch-to-protein-index.csv</span><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; color: rgb(0, 0, 0); font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">, which lists the contents of each batch.</span></p><p dir=\"ltr\" style=\"line-height: 1.38; margin-top: 0pt; margin-bottom: 0pt;\"><br></p><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; color: rgb(0, 0, 0); font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">The embedding is based on the protein's tertiary structure and can be used in search engines and similarity search applications. We benchmarked this embedding, assessing the correlation between protein structural information and embedding similarity. The metric used to assess structural similarity was a structure alignment method TM-Align; the embedding distance was computed as Euclidean (or Cosine) distance between the vectors. These results are available at </span><a href=\"https://github.com/Coda-Research-Group/ProteinEmbeddingBenchmark\"><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\">https://github.com/Coda-Research-Group/ProteinEmbeddingBenchmark</span></a><span style=\"font-size: 10.5pt; font-family: Roboto, sans-serif; color: rgb(0, 0, 0); font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-alternates: normal; font-variant-position: normal; vertical-align: baseline; white-space-collapse: preserve;\"> . The repository also contains resources needed to encode arbitrary protein into this embedding.</span></span>"},"titles":[{"title":{"en":"LMI-30: Protein structural embeddings of AlphaFold DB"},"titleType":"mainTitle"},{"title":{"en":"214 millions of proteins encoded into a vector representation (size=435)"},"titleType":"subtitle"}]},"revision":486,"updated":"2026-04-27T08:55:48.201231+00:00"}