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README.md ADDED
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+ ---
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+ license: other
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+ pretty_name: SKEMPI v2
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+ size_categories:
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+ - 1K<n<10K
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+ task_categories:
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+ - other
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+ language:
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+ - en
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+ tags:
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+ - biology
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+ - proteins
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+ - binding-affinity
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+ - mutation
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+ - skempi
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+ - jsonl
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+ ---
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+
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+ # SKEMPI v2
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+
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+ SKEMPI v2 protein-protein binding affinity mutation dataset, normalized to newline-delimited JSON with row-level provenance.
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+
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+ Processed and uploaded by the [MegaData](https://github.com/) post-download pipeline
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+ (internal repo). Original source: <https://life.bsc.es/pid/skempi2>.
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+
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+ ## Statistics
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+
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+ | | |
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+ |---|---|
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+ | Table files | 1 |
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+ | Total rows | 7,085 |
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+ | Total bytes | 5.86 MiB (6,148,969) |
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+
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+ ## Tables
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+
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+ | Table | Rows | Bytes |
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+ |---|---:|---:|
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+ | `labeled_skempi2_skempi_v2.csv.jsonl` | 7,085 | 5.86 MiB |
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+
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+ ## Layout
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+
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+ ```
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+ .
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+ ├── _MANIFEST.json # aggregate manifest (per-table counts)
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+ └── tables/<source_slug>.jsonl # normalized rows (one JSON object per line)
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+ ```
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+
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+ Each line in a `tables/*.jsonl` file is a JSON object with at least
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+ `dataset_id`, `row` (the raw upstream row), `row_index`, and `source_file`
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+ fields, so every row carries its upstream provenance.
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+
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+ ## Loading
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+
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+ ```bash
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+ hf download LiteFold/SKEMPI2 --repo-type dataset --local-dir ./skempi2
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+ ```
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+
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+ Programmatic streaming:
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+
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+ ```python
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+ import json
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+ from pathlib import Path
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+ from huggingface_hub import snapshot_download
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+
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+ local = snapshot_download(repo_id="LiteFold/SKEMPI2", repo_type="dataset")
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+ for jsonl in sorted(Path(local, "tables").glob("*.jsonl")):
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+ with jsonl.open() as f:
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+ for line in f:
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+ row = json.loads(line)
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+ ... # row["row"] is the upstream record
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+ ```
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+
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+ ## License
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+
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+ See upstream SKEMPI v2 license.
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+
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+ ## Citation
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+
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+ > Jankauskaite J, et al. SKEMPI 2.0: an updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation. Bioinformatics, 35(3):462-469, 2019.
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+
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+ ## Provenance
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+
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+ Built from the local manifest entry `skempi2` of `manifests/atlas_download_plan.json`.
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+ Pipeline source: `megadata-post normalize --dataset skempi2 --tables-only`.
_MANIFEST.json ADDED
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+ {
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+ "category": "labeled",
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+ "dataset_id": "skempi2",
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+ "format": "jsonl table rows with provenance",
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+ "tables": [
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+ {
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+ "bytes": 6148969,
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+ "category": "labeled",
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+ "dataset_id": "skempi2",
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+ "output_file": "data/processed/labeled/skempi2/tables/labeled_skempi2_skempi_v2.csv.jsonl",
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+ "rows": 7085,
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+ "source_file": "labeled/skempi2/skempi_v2.csv",
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+ "status": "regenerated"
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+ }
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+ ],
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+ "total_rows": 7085
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+ }
tables/labeled_skempi2_skempi_v2.csv.jsonl ADDED
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