Initialize verified RAW 70%-cluster release metadata
Browse files- BUILD_RECIPE.md +117 -0
- LICENSE_AND_ATTRIBUTION.md +48 -0
- README.md +91 -0
- SOURCE_PROVENANCE.json +32 -0
- manifest.json +71 -0
BUILD_RECIPE.md
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# Reproducing the 70%-identity representative FASTAs
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The canonical implementation is
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[`dev/data/process_full_corpus.py`](https://github.com/Lumin-Science/LuminBench-Nano-ESMC/blob/main/dev/data/process_full_corpus.py).
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All Python environments are managed by `uv`; MMseqs2 is invoked as a pinned
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external binary and its version is recorded in each clustering receipt.
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## 1. Pin and download the three source arms
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| Source | Frozen input |
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|---|---|
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| UniRef90 | [UniRef release 2023_02 archive](https://ftp.uniprot.org/pub/databases/uniprot/previous_releases/release-2023_02/uniref/uniref2023_02.tar.gz), 211,819,312,677 bytes, MD5 `353681f464572bb199fa032f714d4669` |
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| MGnify | [Protein DB 2023_02 `mgy_clusters.fa.gz`](https://ftp.ebi.ac.uk/pub/databases/metagenomics/peptide_database/2023_02/mgy_clusters.fa.gz), 83,473,342,442 bytes, MD5 `332d36d2a943bdb769237a03e050ed03` |
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| OMG/IMG | All 959 Parquet objects in [`tattabio/OMG`](https://huggingface.co/datasets/tattabio/OMG), 1,253,813,127,320 bytes total, pinned by path, size, and LFS SHA-256 in [`dev/data/omg_upstream_shards.tsv`](https://github.com/Lumin-Science/LuminBench-Nano-ESMC/blob/main/dev/data/omg_upstream_shards.tsv) |
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## 2. Normalize and quality-filter
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For every record, in order:
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1. remove whitespace and a terminal `*`;
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2. uppercase the sequence;
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3. map unsupported amino-acid characters to `X`;
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4. reject sequences shorter than 60 residues;
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5. reject sequences with more than 20% non-canonical residues; and
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6. in the OMG payload, keep numeric JGI/IMG accessions and remove `ERZ` MGnify-
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origin rows so MGnify is not represented twice.
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The measured funnel was:
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| Source | Original records | Short | >20% ambiguous | Wrong source | Quality eligible |
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|---|---:|---:|---:|---:|---:|
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| UniRef90 | 170,669,877 | 4,755,787 | 29,797 | 0 | 165,884,293 |
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| MGnify | 729,215,663 | 117,372,608 | 26,021 | 0 | 611,817,034 |
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| OMG/IMG | 3,280,269,924 | 145,672,826 | 0 | 1,048,850,563 | 2,085,746,535 |
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## 3. Global exact deduplication
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Accepted records are partitioned into 256 leading-byte SHA-256 buckets. Exact
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normalized sequences are collapsed globally while preserving every
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`(sha256, source, source_id)` membership in Parquet. A source-specific FASTA
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view is then emitted for every source in which the sequence occurred.
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The source views contain 165,884,293 UniRef90, 611,788,129 MGnify, and
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963,673,186 OMG/IMG unique sequences. Their global union contains
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1,661,993,387 exact unique sequences; source-view counts are larger because one
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digest can belong to multiple source arms.
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## 4. Source-specific diversity clustering
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Each source view is clustered independently with MMseqs2 Linclust:
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```text
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mmseqs linclust sequences clusters tmp \
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--min-seq-id 0.70 \
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-c 0.80 \
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--cov-mode 1 \
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--cluster-mode 2 \
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--threads 64
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```
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`--cov-mode 1` applies the 80% coverage requirement to the shorter sequence.
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`createtsv` emits the representative/member digest pairs and `result2repseq`
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plus `result2flat --use-fasta-header` emits the representative FASTA.
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## 5. Reproduction commands
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```bash
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uv sync --frozen
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PIPE=dev/data/process_full_corpus.py
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ROOT=/absolute/path/to/protein-corpus
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MMSEQS=/absolute/path/to/mmseqs
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uv run --frozen python "$PIPE" download \
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--data-root "$ROOT" \
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--omg-manifest dev/data/omg_upstream_shards.tsv \
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--download-workers 8
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uv run --frozen python "$PIPE" normalize --source uniref90 \
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--input "$ROOT/raw/uniref90_2023_02/uniref2023_02.tar.gz" \
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--output "$ROOT/normalized/uniref90"
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uv run --frozen python "$PIPE" normalize --source mgnify \
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--input "$ROOT/raw/mgnify_2023_02/mgy_clusters.fa.gz" \
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--output "$ROOT/normalized/mgnify"
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# Expand all 959 OMG inputs from dev/data/omg_upstream_shards.tsv, then:
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uv run --frozen python "$PIPE" normalize --source omg_img \
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"${omg_inputs[@]}" --output "$ROOT/normalized/omg_img"
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uv run --frozen python "$PIPE" deduplicate \
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--input "$ROOT/normalized/uniref90" \
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--input "$ROOT/normalized/mgnify" \
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--input "$ROOT/normalized/omg_img" \
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--output "$ROOT/deduplicated"
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for source in uniref90 mgnify omg_img; do
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uv run --frozen python "$PIPE" cluster \
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--dedup-root "$ROOT/deduplicated" \
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--source "$source" \
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--output "$ROOT/clusters/$source" \
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--mmseqs "$MMSEQS" \
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--threads 64
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done
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```
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Every output directory is create-once. The builder refuses to overwrite an
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existing normalization, deduplication, or clustering directory.
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## 6. Boundary of this RAW release
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This release stops immediately after source-specific 70%-identity clustering.
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It does not perform evaluation homology exclusion, exact evaluation exclusion,
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cross-source representative ownership, length 32–16,384 filtering, validation
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selection, or Parquet packing. Those steps produce the final
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[`LuminBench-Nano-ESMC`](https://huggingface.co/datasets/LuminScience/LuminBench-Nano-ESMC)
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release.
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LICENSE_AND_ATTRIBUTION.md
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# License and attribution
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Reviewed: 2026-08-26
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This repository contains a mixed-terms compilation. Lumin Science licenses only
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its original selection, arrangement, SHA-addressed clustering metadata,
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verification receipts, and documentation under
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[CC BY-SA 4.0](https://creativecommons.org/licenses/by-sa/4.0/). It does not
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relicense third-party protein sequences or identifiers.
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## UniRef90
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`representatives/uniref90.fasta` derives from UniRef release 2023_02. UniProt
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applies [CC BY 4.0](https://www.uniprot.org/help/license) to copyrightable
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database content. Attribute the UniProt Consortium / UniRef, retain its notice,
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link to the source where practical, and state the processing changes.
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## MGnify
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`representatives/mgnify.fasta` derives from the official MGnify Protein Database
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2023_02 archive. It remains governed by the
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[EMBL-EBI Terms of Use](https://www.ebi.ac.uk/about/terms-of-use/) and applicable
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original-owner rights. Attribute EMBL-EBI MGnify and the original contributors.
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Lumin Science does not apply a new Creative Commons license to these records.
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## OMG/IMG
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`representatives/omg_img.fasta` contains numeric-accession JGI/IMG protein CDS
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rows from [`tattabio/OMG`](https://huggingface.co/datasets/tattabio/OMG), after
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removing its `ERZ` MGnify-origin rows. The direct distribution declares CC
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BY-SA 4.0. Attribute the OMG authors/TattaBio, JGI/IMG, and original
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contributors; retain the license and modification notices.
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## Derived cluster maps
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`clusters/**`, receipts, manifests, and build documentation are Lumin Science
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derived database metadata offered under CC BY-SA 4.0. The cluster maps contain
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SHA-256 digests rather than member sequences or original accessions. Applying
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the maps to upstream data does not replace the upstream terms for the recovered
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records.
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## Processing changes
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Records were normalized, quality filtered, globally exact-deduplicated with
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source membership retained, and clustered independently per source at 70%
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sequence identity and 80% shorter-sequence coverage. The data in this RAW
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repository have not yet been evaluation-decontaminated.
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README.md
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---
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pretty_name: LuminBench Nano ESMC Raw 70% Cluster Outputs v1
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license: other
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size_categories:
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- 100M<n<1B
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tags:
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- biology
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- protein
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- protein-language-model
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- fasta
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- clustering
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- mmseqs2
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---
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# LuminBench Nano ESMC Raw 70% Cluster Outputs v1
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This repository preserves the source-specific 70%-identity clustering outputs
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that precede evaluation decontamination and final Parquet packing in
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[`LuminScience/LuminBench-Nano-ESMC`](https://huggingface.co/datasets/LuminScience/LuminBench-Nano-ESMC).
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+
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It contains **241,600,826,413 bytes of representative FASTA data** covering
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**765,290,002 source-specific cluster representatives**. It also preserves the
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three cluster-membership maps so the clustering result is not reduced to the
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representatives alone.
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> **Not decontaminated training data.** These FASTAs precede the P@L/P-CORE
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> evaluation exclusion, cross-source ownership assignment, length gate, and
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> train/validation split. Use the final repository above for clean training.
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## Files
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| Source arm | Representative FASTA | Representatives | Cluster map | Source-specific member rows |
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|---|---:|---:|---:|---:|
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| UniRef90 2023_02 | 38,626,189,542 bytes | 92,230,941 | 23,887,338,192 bytes | 165,884,293 |
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| MGnify Protein DB 2023_02 | 93,319,863,106 bytes | 348,135,082 | 88,097,490,576 bytes | 611,788,129 |
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| OMG/IMG | 109,654,773,765 bytes | 324,923,979 | 138,768,938,784 bytes | 963,673,186 |
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| **Total** | **241,600,826,413 bytes** | **765,290,002** | **250,753,767,552 bytes** | **1,741,345,608 source memberships** |
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Paths are:
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```text
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representatives/{uniref90,mgnify,omg_img}.fasta
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clusters/{uniref90,mgnify,omg_img}.clusters.tsv
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receipts/{uniref90,mgnify,omg_img}.verification.json
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```
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| 46 |
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FASTA identifiers are `sha256_<digest>`, where the digest is computed from the
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normalized ASCII amino-acid sequence. Each cluster-map row is:
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```text
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representative_sha256<TAB>member_sha256
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```
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The maps are source-specific. The same exact sequence can therefore occur as a
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member in more than one source arm.
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## Does this preserve every clustered protein?
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It preserves the **cluster assignment relation**, but it is not a self-contained
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copy of every cluster-member sequence:
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+
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- the representative FASTAs contain the 765.29M representative sequences;
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- the `clusters.tsv` files map each representative digest to every member digest;
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- non-representative member sequences and original upstream accessions are not
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| 65 |
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stored in those TSVs.
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| 66 |
+
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To recover all member sequences or original identifiers, redownload the pinned
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| 68 |
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upstream snapshots, rerun normalization and exact deduplication, and join the
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| 69 |
+
resulting membership Parquet rows to `member_sha256`. This repository therefore
|
| 70 |
+
preserves enough information to reproduce cluster membership **when combined
|
| 71 |
+
with the pinned upstream inputs and build recipe**, but the representative
|
| 72 |
+
FASTAs alone would not be sufficient.
|
| 73 |
+
|
| 74 |
+
See [`BUILD_RECIPE.md`](BUILD_RECIPE.md), [`manifest.json`](manifest.json), and
|
| 75 |
+
[`SOURCE_PROVENANCE.json`](SOURCE_PROVENANCE.json) for the exact pipeline,
|
| 76 |
+
commands, checksums, and limitations.
|
| 77 |
+
|
| 78 |
+
## License and source terms
|
| 79 |
+
|
| 80 |
+
This is a mixed-terms dataset, so the Hub metadata uses `license: other` rather
|
| 81 |
+
than pretending that one license replaces all upstream terms.
|
| 82 |
+
|
| 83 |
+
| Path | Direct source | Governing terms |
|
| 84 |
+
|---|---|---|
|
| 85 |
+
| `representatives/uniref90.fasta` | UniRef90 2023_02 | [UniProt CC BY 4.0](https://www.uniprot.org/help/license) |
|
| 86 |
+
| `representatives/mgnify.fasta` | MGnify Protein DB 2023_02 | [EMBL-EBI Terms of Use](https://www.ebi.ac.uk/about/terms-of-use/) plus applicable original-owner rights; not relicensed by Lumin Science |
|
| 87 |
+
| `representatives/omg_img.fasta` | JGI/IMG records distributed by [`tattabio/OMG`](https://huggingface.co/datasets/tattabio/OMG) | CC BY-SA 4.0 as declared by the direct distribution |
|
| 88 |
+
| `clusters/**`, manifests, receipts, and build documentation | Lumin Science selection, arrangement, and derived clustering metadata | CC BY-SA 4.0 |
|
| 89 |
+
|
| 90 |
+
See [`LICENSE_AND_ATTRIBUTION.md`](LICENSE_AND_ATTRIBUTION.md) before reuse.
|
| 91 |
+
|
SOURCE_PROVENANCE.json
ADDED
|
@@ -0,0 +1,32 @@
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|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"distribution_license": {
|
| 3 |
+
"license": "mixed; see LICENSE_AND_ATTRIBUTION.md",
|
| 4 |
+
"lumin_science_metadata_license": "CC BY-SA 4.0",
|
| 5 |
+
"third_party_records_relicensed": false
|
| 6 |
+
},
|
| 7 |
+
"release": "raw-source-specific-70pct-clusters-v1",
|
| 8 |
+
"reviewed_at": "2026-08-26",
|
| 9 |
+
"schema_version": 1,
|
| 10 |
+
"source_arms": {
|
| 11 |
+
"mgnify": {
|
| 12 |
+
"governing_terms": "EMBL-EBI Terms of Use plus applicable original-owner rights",
|
| 13 |
+
"raw_bytes": 83473342442,
|
| 14 |
+
"raw_md5": "332d36d2a943bdb769237a03e050ed03",
|
| 15 |
+
"raw_url": "https://ftp.ebi.ac.uk/pub/databases/metagenomics/peptide_database/2023_02/mgy_clusters.fa.gz"
|
| 16 |
+
},
|
| 17 |
+
"omg_img": {
|
| 18 |
+
"governing_terms": "CC BY-SA 4.0 as declared by tattabio/OMG",
|
| 19 |
+
"raw_bytes": 1253813127320,
|
| 20 |
+
"raw_manifest_sha256": "bb24ae4e819c92faa20767bf9f4070dfd3e27f673e77d064b7a45cc897ebd7d0",
|
| 21 |
+
"raw_repository": "https://huggingface.co/datasets/tattabio/OMG",
|
| 22 |
+
"raw_shards": 959
|
| 23 |
+
},
|
| 24 |
+
"uniref90": {
|
| 25 |
+
"governing_terms": "CC BY 4.0",
|
| 26 |
+
"raw_bytes": 211819312677,
|
| 27 |
+
"raw_md5": "353681f464572bb199fa032f714d4669",
|
| 28 |
+
"raw_url": "https://ftp.uniprot.org/pub/databases/uniprot/previous_releases/release-2023_02/uniref/uniref2023_02.tar.gz"
|
| 29 |
+
}
|
| 30 |
+
}
|
| 31 |
+
}
|
| 32 |
+
|
manifest.json
ADDED
|
@@ -0,0 +1,71 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
|
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|
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|
|
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|
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|
|
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|
|
|
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|
|
|
|
|
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|
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|
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|
|
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|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"clustering": {
|
| 3 |
+
"cluster_mode": 2,
|
| 4 |
+
"coverage_mode": 1,
|
| 5 |
+
"minimum_coverage": 0.8,
|
| 6 |
+
"minimum_sequence_identity": 0.7,
|
| 7 |
+
"method": "MMseqs2 Linclust",
|
| 8 |
+
"scope": "independent per source arm"
|
| 9 |
+
},
|
| 10 |
+
"files": {
|
| 11 |
+
"mgnify": {
|
| 12 |
+
"cluster_map": {
|
| 13 |
+
"bytes": 88097490576,
|
| 14 |
+
"path": "clusters/mgnify.clusters.tsv",
|
| 15 |
+
"rows": 611788129,
|
| 16 |
+
"sha256": "7c1ffedd2d772b6955da746f53ede3885e23242faad27fcae75a7323877d5342"
|
| 17 |
+
},
|
| 18 |
+
"representatives": {
|
| 19 |
+
"bytes": 93319863106,
|
| 20 |
+
"path": "representatives/mgnify.fasta",
|
| 21 |
+
"records": 348135082,
|
| 22 |
+
"sha256": "c40a97fcc8fee4777e8da8568e8f049f4e3f80dcecdc51f15da51005b28ad96a"
|
| 23 |
+
}
|
| 24 |
+
},
|
| 25 |
+
"omg_img": {
|
| 26 |
+
"cluster_map": {
|
| 27 |
+
"bytes": 138768938784,
|
| 28 |
+
"path": "clusters/omg_img.clusters.tsv",
|
| 29 |
+
"rows": 963673186,
|
| 30 |
+
"sha256": "530e00984d0f3eff9ca53a8588221b08a2bc0eb9ab5ce9b5302366289bbd4bbf"
|
| 31 |
+
},
|
| 32 |
+
"representatives": {
|
| 33 |
+
"bytes": 109654773765,
|
| 34 |
+
"path": "representatives/omg_img.fasta",
|
| 35 |
+
"records": 324923979,
|
| 36 |
+
"sha256": "163b764c9aca5241da1c499e58dcf25fa2b6670046bf1f2dbd28789aaa3e439e"
|
| 37 |
+
}
|
| 38 |
+
},
|
| 39 |
+
"uniref90": {
|
| 40 |
+
"cluster_map": {
|
| 41 |
+
"bytes": 23887338192,
|
| 42 |
+
"path": "clusters/uniref90.clusters.tsv",
|
| 43 |
+
"rows": 165884293,
|
| 44 |
+
"sha256": "50bede91d10a00b3c2c11ad22e16b87bf69cdecb96470e8a485382c869f16dd5"
|
| 45 |
+
},
|
| 46 |
+
"representatives": {
|
| 47 |
+
"bytes": 38626189542,
|
| 48 |
+
"path": "representatives/uniref90.fasta",
|
| 49 |
+
"records": 92230941,
|
| 50 |
+
"sha256": "521e57d099102945e11db852cc4f4870e288c2994c6a0a5dea9bff8e5bfdcec8"
|
| 51 |
+
}
|
| 52 |
+
}
|
| 53 |
+
},
|
| 54 |
+
"limitations": {
|
| 55 |
+
"cluster_maps_contain_member_sequences": false,
|
| 56 |
+
"cluster_maps_contain_original_accessions": false,
|
| 57 |
+
"evaluation_decontaminated": false,
|
| 58 |
+
"full_members_can_be_reconstructed_from_pinned_upstream_and_recipe": true
|
| 59 |
+
},
|
| 60 |
+
"protocol": "raw-source-specific-70pct-cluster-release-v1",
|
| 61 |
+
"schema_version": 1,
|
| 62 |
+
"status": "verified",
|
| 63 |
+
"totals": {
|
| 64 |
+
"cluster_map_bytes": 250753767552,
|
| 65 |
+
"representative_bytes": 241600826413,
|
| 66 |
+
"representative_records": 765290002,
|
| 67 |
+
"source_specific_member_rows": 1741345608,
|
| 68 |
+
"total_published_bytes": 492354593965
|
| 69 |
+
}
|
| 70 |
+
}
|
| 71 |
+
|