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+ +

+ arXiv + GitHub + DOI + LLM-Ready + Follow on X + Author website +

+ +# Science Data Lake + +A unified, portable science data lake integrating **7 scholarly datasets** (~525 GB Parquet) with cross-dataset DOI normalization, **13 scientific ontologies** (1.3M terms), and a reproducible ETL pipeline. + +> **Note:** One additional source (Semantic Scholar S2AG) is supported by the pipeline but is **not redistributed here** due to its API terms of service. See [Not Included in This Upload](#not-included-in-this-upload) below. + +## What's Unique + +This dataset enables queries that are **impossible with any single source**: + +```sql +-- "Top disruptive papers with open-source code, checking for retractions" +SELECT doi, title, year, + sciscinet_disruption, -- from SciSciNet + oa_cited_by_count, -- from OpenAlex + has_pwc, -- from Papers With Code + has_retraction -- from Retraction Watch +FROM unified_papers +WHERE has_pwc AND sciscinet_disruption > 0.5 +ORDER BY oa_cited_by_count DESC +LIMIT 20 +``` + +## Datasets Included + +| Dataset | Papers/Records | License | Key Contribution | +|---------|---------------|---------|-----------------| +| **OpenAlex** | 479M works | **CC0 1.0** (public domain) | Broadest coverage, topics, FWCI | +| **SciSciNet** v2 | 250M papers | **CC BY 4.0** | Disruption index, atypicality, team size | +| **Papers With Code** | 513K papers | **CC BY-SA 4.0** | Method-task-dataset-code links | +| **Retraction Watch** | 69K records | **Open** (via Crossref) | Retraction flags + reasons | +| **Reliance on Science** | 47.8M pairs | **CC BY-NC 4.0** | Patent-to-paper citation pairs (global) | +| **Preprint-to-Paper** | 146K pairs | **CC BY 4.0** | bioRxiv preprint to published paper | +| **13 Ontologies** | 1.3M terms | Various (see below) | CSO, MeSH, GO, DOID, ChEBI, NCIT, HPO, EDAM, AGROVOC, UNESCO, STW, MSC2020, PhySH | + +### Ontology Licenses + +| Ontology | License | +|----------|---------| +| MeSH | Public Domain (US government work) | +| GO, ChEBI, NCIT, EDAM, CSO, PhySH, STW | CC BY 4.0 | +| DOID | CC0 1.0 | +| AGROVOC | CC BY 3.0 IGO | +| UNESCO Thesaurus | CC BY-SA 3.0 IGO | +| HPO | Custom (free for research use) | +| MSC2020 | **CC BY-NC-SA 4.0** (non-commercial) | + +### Snapshot Dates + +Each source was downloaded at a specific point in time: + +| Dataset | Snapshot / Release | Notes | +|---------|-------------------|-------| +| OpenAlex | 2026-02-03 | S3 snapshot | +| SciSciNet v2 | 2024-11-01 | GCS bucket | +| Papers With Code | 2025-07 | Archived JSON | +| Retraction Watch | 2025-02 | Crossref CSV | +| Reliance on Science | v64 | Zenodo record | +| Preprint-to-Paper | 2025-06 | Zenodo record | +| 13 Ontologies | 2026-02 | Official sources | + +All snapshots can be refreshed using the [update pipeline](https://github.com/J0nasW/science-datalake) — see below. + +### Not Included in This Upload + +The following source is supported by the full pipeline ([GitHub](https://github.com/J0nasW/science-datalake)) but is **not redistributed here** due to its API terms of service: + +| Dataset | Reason | How to obtain | +|---------|--------|---------------| +| **S2AG** (Semantic Scholar, 231M papers) | License requires individual agreement with Semantic Scholar | [Semantic Scholar Datasets API](https://api.semanticscholar.org/api-docs/datasets) | + +After downloading S2AG locally, run the full pipeline to integrate it. + +## Key Tables + +### `unified_papers` (293M rows) +The headline table: one row per unique DOI, joining all sources. + +| Column | Type | Description | +|--------|------|-------------| +| `doi` | VARCHAR | Normalized DOI (lowercase, no prefix) | +| `title` | VARCHAR | Best available title (OpenAlex > S2AG) | +| `year` | BIGINT | Publication year | +| `openalex_id` | VARCHAR | OpenAlex work ID | +| `sciscinet_paperid` | VARCHAR | SciSciNet paper ID | +| `has_openalex` | BOOLEAN | Present in OpenAlex | +| `has_sciscinet` | BOOLEAN | Present in SciSciNet | +| `has_pwc` | BOOLEAN | Has code on Papers With Code | +| `has_retraction` | BOOLEAN | Flagged in Retraction Watch | +| `has_s2ag` | BOOLEAN | Present in Semantic Scholar | +| `has_patent` | BOOLEAN | Cited by at least one patent (RoS) | +| `s2ag_corpusid` | BIGINT | Semantic Scholar corpus ID | +| `s2ag_citationcount` | INTEGER | S2AG citation count | +| `oa_cited_by_count` | BIGINT | OpenAlex citation count | +| `sciscinet_disruption` | DOUBLE | Disruption index (CD index) | +| `sciscinet_atypicality` | DOUBLE | Atypicality score | +| `oa_fwci` | DOUBLE | Field-Weighted Citation Impact | + +> **Note:** The S2AG columns (`s2ag_corpusid`, `s2ag_citationcount`, `s2ag_influentialcitationcount`, `s2ag_isopenaccess`, `has_s2ag`) are present in the uploaded file but will contain NULL/FALSE values unless S2AG has been integrated locally. All other columns (including `has_patent` from Reliance on Science) are fully populated. + +### `topic_ontology_map` +Maps OpenAlex's 4,516 topics to terms in 13 scientific ontologies via embedding-based semantic similarity (BGE-large-en-v1.5, 1024-dim) + exact matching for large ontologies (MeSH, ChEBI, NCIT). 16,150 mappings covering 99.8% of topics. Columns include `similarity` (cosine, 0-1) and `match_type` (label/synonym/exact) for quality filtering. + +### `ontology_bridges` +Cross-ontology links discovered via shared external IDs (UMLS, Wikidata, MESH, etc.). + +## Usage with DuckDB + +### Option 1: Pre-built database file (recommended) + +This repository includes a ready-to-use DuckDB database file (`datalake.duckdb`, 274 KB) with 145 SQL views pre-configured to read directly from HuggingFace. Download just this one file and query all 7 datasets immediately — no pipeline setup required. + +```python +import duckdb + +con = duckdb.connect() +con.execute("INSTALL httpfs; LOAD httpfs;") +con.execute("ATTACH 'hf://datasets/J0nasW/science-datalake/datalake.duckdb' AS lake") + +# Query using familiar schema.table syntax +df = con.execute(""" + SELECT doi, title, year, sciscinet_disruption, oa_cited_by_count + FROM lake.xref.unified_papers + WHERE sciscinet_disruption IS NOT NULL + ORDER BY sciscinet_disruption DESC + LIMIT 100 +""").df() + +# Cross-source joins work out of the box +con.execute(""" + SELECT t.display_name AS topic, o.ontology, o.term_name, o.similarity + FROM lake.xref.topic_ontology_map o + JOIN lake.openalex.topics t ON t.id = o.topic_id + WHERE o.similarity >= 0.85 + ORDER BY o.similarity DESC + LIMIT 20 +""").df() +``` + +### Option 2: Direct Parquet queries + +You can also query individual Parquet files directly without the database file: + +```python +import duckdb + +con = duckdb.connect() +con.execute("INSTALL httpfs; LOAD httpfs;") + +df = con.execute(""" + SELECT doi, title, year, sciscinet_disruption, oa_cited_by_count + FROM 'hf://datasets/J0nasW/science-datalake/xref/unified_papers/*.parquet' + WHERE sciscinet_disruption IS NOT NULL + ORDER BY sciscinet_disruption DESC + LIMIT 100 +""").df() +``` + +## Keeping the Data Current + +The full pipeline supports incremental updates. When upstream sources release new snapshots: + +```bash +# Update a single dataset +python scripts/datalake_cli.py update openalex + +# Update all datasets and rebuild cross-reference tables +python scripts/datalake_cli.py update +python scripts/materialize_unified_papers.py +``` + +See the [GitHub repository](https://github.com/J0nasW/science-datalake) for full pipeline documentation. + +## LLM & AI Agent Integration + +This data lake ships with **[SCHEMA.md](https://github.com/J0nasW/science-datalake/blob/main/SCHEMA.md)** — a structured reference file optimized for LLM-based coding agents (Claude Code, Cursor, Copilot, etc.). It contains every table, column, type, join strategy, and performance tier in a format that AI agents can use to write correct DuckDB SQL without prior schema knowledge. + +Point your AI assistant at `SCHEMA.md` and ask it to query across all 7 hosted datasets and 13 ontologies using natural language. + +## Building the Full Instance (All 8 Sources) + +Clone the GitHub repository and run the pipeline to integrate all sources including S2AG: + +```bash +git clone https://github.com/J0nasW/science-datalake +cd science-datalake +python scripts/datalake_cli.py download --all +python scripts/datalake_cli.py convert --all +python scripts/create_unified_db.py +python scripts/materialize_unified_papers.py +``` + +## Citation + +If you use the Science Data Lake, please cite the paper: + +```bibtex +@article{wilinski2026sciencedatalake, + title = {The Science Data Lake: A Unified Open Infrastructure Integrating + 293 Million Papers Across Eight Scholarly Sources with + Embedding-Based Ontology Alignment}, + author = {Wilinski, Jonas}, + journal = {arXiv preprint arXiv:2603.03126}, + year = {2026}, + url = {https://arxiv.org/abs/2603.03126} +} +``` + +Dataset DOI: [10.57967/hf/7850](https://doi.org/10.57967/hf/7850) + +## License + +This dataset aggregates multiple sources, each with its own license. **Users must comply with the most restrictive license applicable to the sources they use.** + +| Component | License | +|-----------|---------| +| Integration code (scripts, pipeline) | MIT | +| OpenAlex data | CC0 1.0 (public domain) | +| SciSciNet v2 data | CC BY 4.0 | +| Papers With Code data | CC BY-SA 4.0 | +| Retraction Watch data | Open (via Crossref) | +| Reliance on Science data | CC BY-NC 4.0 | +| Preprint-to-Paper data | CC BY 4.0 | +| Cross-reference tables (`unified_papers`, `topic_ontology_map`) | Derived work — most restrictive source license applies | +| Ontologies | Various — see table above; note **MSC2020 is CC BY-NC-SA 4.0** | diff --git a/datalake.duckdb 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