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  1. README.md +281 -0
  2. data/train-00000-of-00210.parquet +3 -0
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  49. scripts/clean_pubmed_parquet.py +174 -0
  50. scripts/pubmed_xml_to_parquet.py +838 -0
README.md ADDED
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+ ---
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+ pretty_name: PubMed Metadata V2
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+ license: other
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+ language:
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+ - multilingual
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+ task_categories:
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+ - text-retrieval
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+ size_categories:
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+ - 10M<n<100M
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+ tags:
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+ - pubmed
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+ - pubmed-central
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+ - biomedical
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+ - scholarly-metadata
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+ - open-access
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+ dataset_info:
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+ features:
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+ - name: pmid
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+ dtype: uint32
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+ - name: pmcid
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+ dtype: large_string
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+ - name: doi
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+ dtype: large_string
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+ - name: title
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+ dtype: large_string
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+ - name: abstract
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+ dtype: large_string
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+ - name: journal
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+ dtype: large_string
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+ - name: year
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+ dtype: uint16
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+ - name: publication_month
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+ dtype: uint8
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+ - name: publication_day
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+ dtype: uint8
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+ - name: issn
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+ dtype: large_string
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+ - name: eissn
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+ dtype: large_string
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+ - name: is_oa
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+ dtype: bool
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+ - name: issn_linking
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+ dtype: large_string
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+ - name: journal_abbrev
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+ dtype: large_string
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+ - name: nlm_unique_id
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+ dtype: large_string
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+ - name: country
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+ dtype: large_string
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+ - name: volume
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+ dtype: large_string
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+ - name: issue
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+ dtype: large_string
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+ - name: pages
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+ dtype: large_string
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+ - name: date_completed
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+ dtype: date32
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+ - name: date_revised
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+ dtype: date32
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+ - name: citation_status
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+ dtype: string
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+ - name: publication_status
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+ dtype: string
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+ - name: pub_model
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+ dtype: string
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+ - name: vernacular_title
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+ dtype: large_string
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+ - name: authors
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+ large_list:
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+ - name: display_name
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+ dtype: large_string
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+ - name: last_name
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+ dtype: large_string
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+ - name: fore_name
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+ dtype: large_string
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+ - name: initials
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+ dtype: large_string
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+ - name: suffix
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+ dtype: large_string
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+ - name: collective_name
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+ dtype: large_string
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+ - name: orcid
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+ dtype: large_string
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+ - name: affiliations
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+ large_list: large_string
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+ - name: valid
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+ dtype: bool
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+ - name: equal_contrib
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+ dtype: bool
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+ - name: publication_types
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+ large_list: large_string
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+ - name: languages
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+ large_list: large_string
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+ - name: mesh_terms
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+ large_list: large_string
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+ - name: mesh_major_topics
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+ large_list: large_string
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+ - name: keywords
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+ large_list: large_string
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+ - name: article_ids
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+ large_list: large_string
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+ splits:
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+ - name: train
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+ num_examples: 41860640
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+ configs:
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+ - config_name: default
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+ data_files:
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+ - split: train
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+ path: data/train-*
110
+ ---
111
+
112
+ # PubMed Metadata V2
113
+
114
+ An updated, V1-schema-compatible Parquet snapshot of PubMed citation metadata,
115
+ augmented with PMC records that were not safely represented in PubMed's current
116
+ PMID-to-PMCID mapping.
117
+
118
+ The PubMed portion was built from the NLM PubMed 2026 annual baseline and daily
119
+ update XML files through `pubmed26n1592.xml.gz`. Updates are applied in numeric
120
+ order, revised records replace earlier versions, and citations whose latest event
121
+ is a deletion are omitted. The dataset was built on 2026-08-16.
122
+
123
+ The single `train` split contains **41,860,640 records**:
124
+
125
+ - 40,990,549 records have a unique, non-null PMID;
126
+ - 870,091 PMC-only records have a null PMID and are keyed by PMCID;
127
+ - 879,135 validated PMC records were added to the current PubMed snapshot; and
128
+ - 2,553 existing PMID rows were safely updated with their missing PMCID and
129
+ available metadata.
130
+
131
+ Compared with `haydn-jones/PubMed-Metadata`, V2 has 915,429 additional records and
132
+ retains the same 32 columns and logical Arrow types. Ambiguous identifier conflicts
133
+ were excluded rather than guessed. PMC matching and external metadata retrieval used
134
+ exact PMCID or DOI identifiers only; no title/author fuzzy matching was used.
135
+
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+ ## Usage
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+
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+ Streaming avoids downloading the entire dataset:
139
+
140
+ ```python
141
+ from datasets import load_dataset
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+
143
+ papers = load_dataset(
144
+ "haydn-jones/PubMed-Metadata-V2",
145
+ split="train",
146
+ streaming=True,
147
+ )
148
+
149
+ first_paper = next(iter(papers))
150
+ ```
151
+
152
+ For a local memory-mapped dataset:
153
+
154
+ ```python
155
+ from datasets import load_dataset
156
+
157
+ papers = load_dataset("haydn-jones/PubMed-Metadata-V2", split="train")
158
+ ```
159
+
160
+ PMID remains unique whenever present. For a unique key across the whole dataset,
161
+ use the PMID when non-null and otherwise use the PMCID.
162
+
163
+ ## Open-access flag
164
+
165
+ `is_oa` is a non-null operational full-text accessibility flag:
166
+
167
+ ```text
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+ pmcid is present
169
+ OR
170
+ (issn, eissn, or issn_linking matches a current DOAJ journal
171
+ AND publication year >= that journal's all-content open-license start year)
172
+ ```
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+
174
+ - 12,906,383 rows are marked `is_oa=true`.
175
+ - 12,338,603 rows have a PMCID; every one is marked `is_oa=true`.
176
+ - 567,780 rows are marked open through the date-aware DOAJ rule without a PMCID.
177
+
178
+ This flag indicates practical full-text accessibility. It does **not** assert that
179
+ an article has a permissive reuse license: PMC content has article-specific rights,
180
+ and users must check the applicable license before reuse.
181
+
182
+ ## Columns
183
+
184
+ | Column | Type | Description |
185
+ |---|---|---|
186
+ | `pmid` | `uint32` | PubMed identifier; unique when present. Null for PMC-only records without a safely resolved PMID. |
187
+ | `pmcid` | string | PubMed Central identifier, when available. |
188
+ | `doi` | string | Digital Object Identifier, normalized to its identifier value. |
189
+ | `title` | string | Article or book-document title as plain text. |
190
+ | `abstract` | string | Abstract sections joined with newlines; section labels are retained. |
191
+ | `journal` | string | Full journal title. |
192
+ | `year` | `uint16` | Best available publication year. |
193
+ | `publication_month` | `uint8` | Explicit publication month, when available. |
194
+ | `publication_day` | `uint8` | Explicit publication day, when available. |
195
+ | `issn` | string | Print ISSN. |
196
+ | `eissn` | string | Electronic ISSN. |
197
+ | `is_oa` | boolean | PMCID-or-date-aware-DOAJ accessibility flag described above. |
198
+ | `issn_linking` | string | NLM linking ISSN used to associate journal formats and title histories. |
199
+ | `journal_abbrev` | string | NLM/ISO journal abbreviation. |
200
+ | `nlm_unique_id` | string | NLM Catalog identifier for the journal. |
201
+ | `country` | string | Journal publication country recorded by NLM. |
202
+ | `volume` | string | Journal volume; kept as text because values are not always numeric. |
203
+ | `issue` | string | Journal issue; kept as text because values are not always numeric. |
204
+ | `pages` | string | Pagination or electronic location text. |
205
+ | `date_completed` | date | Date NLM completed processing the citation. |
206
+ | `date_revised` | date | Most recent explicit revision date in the record. |
207
+ | `citation_status` | string | PubMed/Medline citation status. |
208
+ | `publication_status` | string | PubMed publication status such as `ppublish` or `epublish`. |
209
+ | `pub_model` | string | Print/electronic publication model. |
210
+ | `vernacular_title` | string | Title in the original language, when supplied separately. |
211
+ | `authors` | list of structs | Ordered authors, including names, ORCID, affiliations, validity, and equal-contribution metadata. |
212
+ | `publication_types` | list of strings | NLM publication-type labels. |
213
+ | `languages` | list of strings | PubMed language codes. |
214
+ | `mesh_terms` | list of strings | MeSH descriptor headings assigned to the citation. |
215
+ | `mesh_major_topics` | list of strings | MeSH descriptors or descriptor/qualifier combinations marked as major topics. |
216
+ | `keywords` | list of strings | Author, publisher, or indexing keywords. |
217
+ | `article_ids` | list of strings | Identifier values carried in the source record. |
218
+
219
+ Each element of `authors` has this structure:
220
+
221
+ ```text
222
+ display_name: string
223
+ last_name: string
224
+ fore_name: string
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+ initials: string
226
+ suffix: string
227
+ collective_name: string
228
+ orcid: string
229
+ affiliations: list[string]
230
+ valid: bool
231
+ equal_contrib: bool
232
+ ```
233
+
234
+ ## Reproduction
235
+
236
+ The PubMed XML parsing and cleaning scripts are included under `scripts/`. The DOAJ
237
+ journal CSV used for the date-aware OA flag is included under `sources/`.
238
+
239
+ Mirror the PubMed baseline and updates from NCBI, including checksum sidecars:
240
+
241
+ ```bash
242
+ lftp -e "
243
+ set net:connection-limit 8;
244
+ mirror --parallel=8 --continue --use-pget-n=4 \
245
+ -I '*.xml.gz' -I '*.xml.gz.md5' \
246
+ /pubmed/baseline/ /path/to/pubmed/baseline/;
247
+ mirror --parallel=8 --continue --use-pget-n=4 \
248
+ -I '*.xml.gz' -I '*.xml.gz.md5' \
249
+ /pubmed/updatefiles/ /path/to/pubmed/updatefiles/;
250
+ quit
251
+ " https://ftp.ncbi.nlm.nih.gov
252
+ ```
253
+
254
+ Build a current-state raw Parquet file:
255
+
256
+ ```bash
257
+ uv run --with pyarrow --with tqdm python scripts/pubmed_xml_to_parquet.py \
258
+ --input-root /path/to/pubmed \
259
+ --output papers.parquet \
260
+ --workers 8
261
+ ```
262
+
263
+ Produce the typed, DOAJ-enriched file:
264
+
265
+ ```bash
266
+ uv run --with polars --with pyarrow python scripts/clean_pubmed_parquet.py \
267
+ papers.parquet papers_clean.parquet \
268
+ --doaj-csv sources/doaj_journalcsv_20260709_2320_utf8.csv
269
+ ```
270
+
271
+ Both scripts write through a partial file and replace the destination atomically.
272
+ The XML builder validates the NLM MD5 sidecars by default.
273
+
274
+ ## Sources and terms
275
+
276
+ - Citation metadata: [NLM PubMed baseline and daily update files](https://pubmed.ncbi.nlm.nih.gov/download/).
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+ - PMC metadata: [PubMed Central Open Access bulk data](https://pmc.ncbi.nlm.nih.gov/tools/ftp/).
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+ - OA journal metadata: [DOAJ Journal CSV](https://doaj.org/docs/journal-csv).
279
+ - DOAJ metadata terms: [DOAJ terms and conditions](https://doaj.org/terms/).
280
+ - Additional exact-identifier gap filling used NCBI ESummary, Europe PMC, OpenAlex,
281
+ and Crossref metadata.
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scripts/clean_pubmed_parquet.py ADDED
@@ -0,0 +1,174 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Rewrite PubMed metadata Parquet with compact, query-friendly scalar types."""
2
+
3
+ from __future__ import annotations
4
+
5
+ import argparse
6
+ import hashlib
7
+ import re
8
+ from datetime import datetime
9
+ from pathlib import Path
10
+
11
+ import polars as pl
12
+ import pyarrow.parquet as pq
13
+
14
+ CITATION_STATUS = pl.Enum(["In-Data-Review", "In-Process", "MEDLINE", "PubMed-not-MEDLINE", "Publisher"])
15
+ PUBLICATION_STATUS = pl.Enum(["aheadofprint", "epublish", "ppublish"])
16
+ PUB_MODEL = pl.Enum(["Electronic", "Electronic-Print", "Electronic-eCollection", "Print", "Print-Electronic"])
17
+ DOAJ_START_YEAR = "When did the journal start to publish all content using an open license?"
18
+ DOAJ_PRINT_ISSN = "Journal ISSN (print version)"
19
+ DOAJ_EISSN = "Journal EISSN (online version)"
20
+ DOAJ_COMPLIES = "Does the journal comply to DOAJ's definition of open access?"
21
+
22
+
23
+ def _parquet_metadata(path: Path) -> dict[str, str]:
24
+ metadata = pq.read_metadata(path).metadata or {}
25
+ return {key.decode(): value.decode() for key, value in metadata.items() if key != b"ARROW:schema"}
26
+
27
+
28
+ def _normalized_issn(column: str) -> pl.Expr:
29
+ return pl.col(column).cast(pl.String).str.to_uppercase().str.replace_all(r"[^0-9X]", "")
30
+
31
+
32
+ def _doaj_issn_start_years(path: Path) -> pl.DataFrame:
33
+ if not path.is_file():
34
+ raise FileNotFoundError(path)
35
+
36
+ journals = pl.read_csv(
37
+ path,
38
+ columns=[DOAJ_PRINT_ISSN, DOAJ_EISSN, DOAJ_START_YEAR, DOAJ_COMPLIES],
39
+ schema_overrides={
40
+ DOAJ_PRINT_ISSN: pl.String,
41
+ DOAJ_EISSN: pl.String,
42
+ DOAJ_START_YEAR: pl.String,
43
+ DOAJ_COMPLIES: pl.String,
44
+ },
45
+ null_values="",
46
+ ).filter(pl.col(DOAJ_COMPLIES) == "Yes")
47
+ issns = pl.concat([
48
+ journals.select(pl.col(DOAJ_PRINT_ISSN).alias("issn"), pl.col(DOAJ_START_YEAR)),
49
+ journals.select(pl.col(DOAJ_EISSN).alias("issn"), pl.col(DOAJ_START_YEAR)),
50
+ ]).with_columns(
51
+ _normalized_issn("issn").alias("issn"),
52
+ pl.col(DOAJ_START_YEAR).cast(pl.UInt16).alias("oa_start_year"),
53
+ )
54
+ return issns.filter(pl.col("issn").str.len_chars() == 8).group_by("issn").agg(pl.col("oa_start_year").min())
55
+
56
+
57
+ def _add_is_oa(source: pl.LazyFrame, doaj_csv_path: Path) -> pl.LazyFrame:
58
+ lookup = _doaj_issn_start_years(doaj_csv_path).lazy()
59
+ issn_columns = ["issn", "eissn", "issn_linking"]
60
+ source = source.with_columns(*(_normalized_issn(column).alias(f"__{column}") for column in issn_columns))
61
+ start_columns: list[str] = []
62
+ for column in issn_columns:
63
+ key = f"__{column}"
64
+ start = f"__{column}_oa_start_year"
65
+ start_columns.append(start)
66
+ source = source.join(
67
+ lookup.rename({"issn": key, "oa_start_year": start}),
68
+ on=key,
69
+ how="left",
70
+ )
71
+
72
+ return source.with_columns(pl.min_horizontal(start_columns).alias("__oa_start_year")).with_columns(
73
+ (pl.col("pmcid").is_not_null() | (pl.col("year") >= pl.col("__oa_start_year")).fill_null(False)).alias("is_oa")
74
+ )
75
+
76
+
77
+ def _doaj_metadata(path: Path, lookup_rows: int) -> dict[str, str]:
78
+ with path.open("rb") as handle:
79
+ checksum = hashlib.file_digest(handle, "sha256").hexdigest()
80
+ date_match = re.search(r"doaj_journalcsv_(\d{8})", path.name)
81
+ snapshot_date = datetime.strptime(date_match.group(1), "%Y%m%d").date().isoformat() if date_match else "unknown"
82
+ return {
83
+ "doaj_source": "https://doaj.org/csv",
84
+ "doaj_snapshot_date": snapshot_date,
85
+ "doaj_csv_sha256": checksum,
86
+ "doaj_unique_issns": str(lookup_rows),
87
+ "is_oa_definition": (
88
+ "true when PMCID is present, or when issn, eissn, or issn_linking matches a current DOAJ journal "
89
+ "and publication year is at least the journal's all-content open-license start year; this indicates "
90
+ "practical full-text accessibility, not necessarily a permissive reuse license"
91
+ ),
92
+ }
93
+
94
+
95
+ def clean_pubmed_parquet(
96
+ input_path: Path,
97
+ output_path: Path,
98
+ *,
99
+ doaj_csv_path: Path | None = None,
100
+ overwrite: bool = False,
101
+ ) -> None:
102
+ """Stream ``input_path`` into an atomically replaced, typed Parquet file."""
103
+ if not input_path.is_file():
104
+ raise FileNotFoundError(input_path)
105
+ if output_path.exists() and not overwrite:
106
+ raise FileExistsError(f"Output already exists: {output_path}; pass --overwrite to replace it")
107
+
108
+ partial_path = output_path.with_name(f".{output_path.name}.partial")
109
+ if partial_path.exists():
110
+ raise FileExistsError(f"Refusing to overwrite existing partial output: {partial_path}")
111
+
112
+ source = pl.scan_parquet(input_path)
113
+ source_columns = source.collect_schema().names()
114
+ if "publication_date" not in source_columns:
115
+ raise ValueError("Input is missing required publication_date column")
116
+
117
+ output_columns = (
118
+ source_columns[:7]
119
+ + ["publication_month", "publication_day"]
120
+ + [column for column in source_columns[7:] if column != "publication_date"]
121
+ )
122
+ if doaj_csv_path is not None:
123
+ source = _add_is_oa(source, doaj_csv_path)
124
+ output_columns.insert(output_columns.index("eissn") + 1, "is_oa")
125
+ typed = source.with_columns(
126
+ pl.col("pmid").cast(pl.UInt32),
127
+ pl.col("year").cast(pl.UInt16),
128
+ pl.col("publication_date").str.slice(5, 2).cast(pl.UInt8, strict=False).alias("publication_month"),
129
+ pl.col("publication_date").str.slice(8, 2).cast(pl.UInt8, strict=False).alias("publication_day"),
130
+ pl.col("date_completed").str.to_date("%Y-%m-%d", strict=True),
131
+ pl.col("date_revised").str.to_date("%Y-%m-%d", strict=True),
132
+ pl.col("citation_status").cast(CITATION_STATUS),
133
+ pl.col("publication_status").cast(PUBLICATION_STATUS),
134
+ pl.col("pub_model").cast(PUB_MODEL),
135
+ ).select(output_columns)
136
+
137
+ metadata = _parquet_metadata(input_path)
138
+ metadata["transform"] = (
139
+ "pmid=uint32; year=uint16; publication_date split into uint8 month/day; "
140
+ "completion/revision dates=date32; bounded statuses=enum"
141
+ )
142
+ if doaj_csv_path is not None:
143
+ metadata.update(_doaj_metadata(doaj_csv_path, _doaj_issn_start_years(doaj_csv_path).height))
144
+ output_path.parent.mkdir(parents=True, exist_ok=True)
145
+ try:
146
+ typed.sink_parquet(
147
+ partial_path,
148
+ compression="zstd",
149
+ compression_level=3,
150
+ statistics=True,
151
+ row_group_size=100_000,
152
+ data_page_size=1024 * 1024,
153
+ maintain_order=True,
154
+ sync_on_close="data",
155
+ metadata=metadata,
156
+ )
157
+ partial_path.replace(output_path)
158
+ except BaseException:
159
+ partial_path.unlink(missing_ok=True)
160
+ raise
161
+
162
+
163
+ def main() -> None:
164
+ parser = argparse.ArgumentParser(description=__doc__)
165
+ parser.add_argument("input", type=Path, help="Source PubMed Parquet")
166
+ parser.add_argument("output", type=Path, help="Destination clean Parquet")
167
+ parser.add_argument("--doaj-csv", type=Path, help="DOAJ journal CSV used to derive is_oa")
168
+ parser.add_argument("--overwrite", action="store_true", help="Atomically replace an existing output")
169
+ args = parser.parse_args()
170
+ clean_pubmed_parquet(args.input, args.output, doaj_csv_path=args.doaj_csv, overwrite=args.overwrite)
171
+
172
+
173
+ if __name__ == "__main__":
174
+ main()
scripts/pubmed_xml_to_parquet.py ADDED
@@ -0,0 +1,838 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ """Build a current PubMed metadata Parquet file from NCBI's XML distribution.
2
+
3
+ The input directory is expected to contain the two directories mirrored from NCBI::
4
+
5
+ pubmed/
6
+ baseline/pubmed26n0001.xml.gz ...
7
+ updatefiles/pubmed26n1335.xml.gz ...
8
+
9
+ The baseline is a snapshot. Update files contain new, revised, and deleted records.
10
+ This script indexes the last update event for every PMID, writes unchanged baseline
11
+ records, and then writes only the final live version from the updates. The result has
12
+ one row per current PMID without needing to hold the corpus in memory.
13
+
14
+ Example::
15
+
16
+ uv run --group dev python scripts/pubmed_xml_to_parquet.py \
17
+ --input-root /mnt/data/pubmed_corpus/pubmed \
18
+ --output /mnt/data/pubmed_corpus/papers.parquet
19
+ """
20
+
21
+ from __future__ import annotations
22
+
23
+ import argparse
24
+ import concurrent.futures
25
+ import contextlib
26
+ import gzip
27
+ import hashlib
28
+ import os
29
+ import re
30
+ import sqlite3
31
+ import tempfile
32
+ from collections import deque
33
+ from collections.abc import Callable, Iterable, Iterator, Sequence
34
+ from dataclasses import dataclass
35
+ from pathlib import Path
36
+ from typing import Any
37
+ from xml.etree import ElementTree as ET
38
+
39
+ import pyarrow as pa
40
+ import pyarrow.parquet as pq
41
+ from tqdm.auto import tqdm
42
+
43
+ DEFAULT_INPUT_ROOT = Path("/mnt/data/pubmed_corpus/pubmed")
44
+ DEFAULT_WORKERS = min(8, os.process_cpu_count() or 1)
45
+ FILE_RE = re.compile(r"^pubmed(?P<release>\d{2})n(?P<sequence>\d{4})\.xml\.gz$")
46
+ YEAR_RE = re.compile(r"(?<!\d)(1[5-9]\d{2}|20\d{2}|2100)(?!\d)")
47
+ WHITESPACE_RE = re.compile(r"\s+")
48
+ ORCID_URL_RE = re.compile(r"^https?://orcid\.org/", re.IGNORECASE)
49
+ SQLITE_QUERY_CHUNK = 900
50
+
51
+ MONTHS = {
52
+ "jan": 1,
53
+ "feb": 2,
54
+ "mar": 3,
55
+ "apr": 4,
56
+ "may": 5,
57
+ "jun": 6,
58
+ "jul": 7,
59
+ "aug": 8,
60
+ "sep": 9,
61
+ "oct": 10,
62
+ "nov": 11,
63
+ "dec": 12,
64
+ }
65
+
66
+ AUTHOR_TYPE = pa.struct([
67
+ pa.field("display_name", pa.string(), nullable=False),
68
+ pa.field("last_name", pa.string()),
69
+ pa.field("fore_name", pa.string()),
70
+ pa.field("initials", pa.string()),
71
+ pa.field("suffix", pa.string()),
72
+ pa.field("collective_name", pa.string()),
73
+ pa.field("orcid", pa.string()),
74
+ pa.field("affiliations", pa.list_(pa.string())),
75
+ pa.field("valid", pa.bool_(), nullable=False),
76
+ pa.field("equal_contrib", pa.bool_()),
77
+ ])
78
+
79
+ PARQUET_SCHEMA = pa.schema([
80
+ pa.field("pmid", pa.string(), nullable=False),
81
+ pa.field("pmcid", pa.string()),
82
+ pa.field("doi", pa.string()),
83
+ pa.field("title", pa.string()),
84
+ pa.field("abstract", pa.string()),
85
+ pa.field("journal", pa.string()),
86
+ pa.field("year", pa.int64()),
87
+ pa.field("issn", pa.string()),
88
+ pa.field("eissn", pa.string()),
89
+ pa.field("issn_linking", pa.string()),
90
+ pa.field("journal_abbrev", pa.string()),
91
+ pa.field("nlm_unique_id", pa.string()),
92
+ pa.field("country", pa.string()),
93
+ pa.field("volume", pa.string()),
94
+ pa.field("issue", pa.string()),
95
+ pa.field("pages", pa.string()),
96
+ pa.field("publication_date", pa.string()),
97
+ pa.field("date_completed", pa.string()),
98
+ pa.field("date_revised", pa.string()),
99
+ pa.field("citation_status", pa.string()),
100
+ pa.field("publication_status", pa.string()),
101
+ pa.field("pub_model", pa.string()),
102
+ pa.field("vernacular_title", pa.string()),
103
+ pa.field("authors", pa.list_(AUTHOR_TYPE)),
104
+ pa.field("publication_types", pa.list_(pa.string())),
105
+ pa.field("languages", pa.list_(pa.string())),
106
+ pa.field("mesh_terms", pa.list_(pa.string())),
107
+ pa.field("mesh_major_topics", pa.list_(pa.string())),
108
+ pa.field("keywords", pa.list_(pa.string())),
109
+ pa.field("article_ids", pa.list_(pa.string())),
110
+ ])
111
+
112
+ Record = dict[str, Any]
113
+
114
+
115
+ @dataclass(frozen=True)
116
+ class DistributionFile:
117
+ path: Path
118
+ release: int
119
+ sequence: int
120
+
121
+
122
+ @dataclass
123
+ class ParsedFile:
124
+ table: pa.Table
125
+ event_count: int
126
+
127
+
128
+ def _local_name(tag: str) -> str:
129
+ """Return an XML local name, including for embedded namespaced content."""
130
+ return tag.rsplit("}", 1)[-1]
131
+
132
+
133
+ def _element_text(element: ET.Element | None) -> str | None:
134
+ """Extract mixed XML content and normalize formatting whitespace."""
135
+ if element is None:
136
+ return None
137
+ text = WHITESPACE_RE.sub(" ", "".join(element.itertext())).strip()
138
+ return text or None
139
+
140
+
141
+ def _text_at(parent: ET.Element | None, path: str) -> str | None:
142
+ return _element_text(parent.find(path)) if parent is not None else None
143
+
144
+
145
+ def _texts_at(parent: ET.Element | None, path: str) -> list[str]:
146
+ if parent is None:
147
+ return []
148
+ return [text for element in parent.findall(path) if (text := _element_text(element)) is not None]
149
+
150
+
151
+ def _unique(values: Iterable[str]) -> list[str]:
152
+ return list(dict.fromkeys(value for value in values if value))
153
+
154
+
155
+ def _abstract(parent: ET.Element | None) -> str | None:
156
+ if parent is None:
157
+ return None
158
+ sections: list[str] = []
159
+ for element in parent.findall("Abstract/AbstractText"):
160
+ text = _element_text(element)
161
+ if text is None:
162
+ continue
163
+ label = WHITESPACE_RE.sub(" ", element.attrib.get("Label", "")).strip()
164
+ sections.append(f"{label}: {text}" if label else text)
165
+ return "\n".join(sections) or None
166
+
167
+
168
+ def _authors(parent: ET.Element | None, paths: Sequence[str]) -> list[Record]:
169
+ if parent is None:
170
+ return []
171
+
172
+ authors: list[Record] = []
173
+ for path in paths:
174
+ for author in parent.findall(path):
175
+ collective_name = _text_at(author, "CollectiveName")
176
+ last_name = _text_at(author, "LastName")
177
+ fore_name = _text_at(author, "ForeName")
178
+ initials = _text_at(author, "Initials")
179
+ suffix = _text_at(author, "Suffix")
180
+ if collective_name:
181
+ display_name = collective_name
182
+ else:
183
+ display_name = " ".join(
184
+ part
185
+ for part in (
186
+ fore_name,
187
+ last_name,
188
+ suffix,
189
+ )
190
+ if part
191
+ )
192
+
193
+ orcid: str | None = None
194
+ for identifier in author.findall("Identifier"):
195
+ if identifier.attrib.get("Source", "").casefold() != "orcid":
196
+ continue
197
+ if value := _element_text(identifier):
198
+ orcid = orcid or ORCID_URL_RE.sub("", value)
199
+
200
+ equal_contrib_attribute = author.attrib.get("EqualContrib")
201
+ authors.append({
202
+ "display_name": display_name,
203
+ "last_name": last_name,
204
+ "fore_name": fore_name,
205
+ "initials": initials,
206
+ "suffix": suffix,
207
+ "collective_name": collective_name,
208
+ "orcid": orcid,
209
+ "affiliations": _unique(_texts_at(author, "AffiliationInfo/Affiliation")),
210
+ "valid": author.attrib.get("ValidYN", "Y") == "Y",
211
+ "equal_contrib": (equal_contrib_attribute == "Y" if equal_contrib_attribute is not None else None),
212
+ })
213
+
214
+ return authors
215
+
216
+
217
+ def _article_ids(*parents: ET.Element | None) -> tuple[dict[str, list[str]], list[str]]:
218
+ by_type: dict[str, list[str]] = {}
219
+ flattened: list[str] = []
220
+ for parent in parents:
221
+ if parent is None:
222
+ continue
223
+ for element in parent.findall("ArticleIdList/ArticleId"):
224
+ value = _element_text(element)
225
+ if value is None:
226
+ continue
227
+ id_type = element.attrib.get("IdType", "unknown").casefold()
228
+ values = by_type.setdefault(id_type, [])
229
+ if value not in values:
230
+ values.append(value)
231
+ flattened.append(f"{id_type}:{value}")
232
+ return by_type, _unique(flattened)
233
+
234
+
235
+ def _date_parts(parent: ET.Element | None) -> tuple[int | None, str | None]:
236
+ if parent is None:
237
+ return None, None
238
+
239
+ year_text = _text_at(parent, "Year")
240
+ medline_date = _text_at(parent, "MedlineDate")
241
+ year: int | None = None
242
+ if year_text and year_text.isdigit():
243
+ year = int(year_text)
244
+ elif medline_date and (match := YEAR_RE.search(medline_date)):
245
+ year = int(match.group(1))
246
+
247
+ if year is None:
248
+ return None, medline_date
249
+
250
+ month_text = _text_at(parent, "Month")
251
+ day_text = _text_at(parent, "Day")
252
+ month: int | None = None
253
+ if month_text:
254
+ if month_text.isdigit() and 1 <= int(month_text) <= 12:
255
+ month = int(month_text)
256
+ else:
257
+ month = MONTHS.get(month_text[:3].casefold())
258
+
259
+ if month is None:
260
+ return year, str(year)
261
+ if day_text and day_text.isdigit() and 1 <= int(day_text) <= 31:
262
+ return year, f"{year:04d}-{month:02d}-{int(day_text):02d}"
263
+ return year, f"{year:04d}-{month:02d}"
264
+
265
+
266
+ def _simple_date(parent: ET.Element | None) -> str | None:
267
+ _, value = _date_parts(parent)
268
+ return value
269
+
270
+
271
+ def _publication_date(
272
+ article: ET.Element | None,
273
+ pubmed_data: ET.Element | None,
274
+ *,
275
+ book: ET.Element | None = None,
276
+ ) -> tuple[int | None, str | None]:
277
+ candidates: list[ET.Element | None] = []
278
+ if article is not None:
279
+ candidates.extend([
280
+ article.find("Journal/JournalIssue/PubDate"),
281
+ article.find("ArticleDate"),
282
+ ])
283
+ if book is not None:
284
+ candidates.append(book.find("PubDate"))
285
+ if pubmed_data is not None:
286
+ history = pubmed_data.find("History")
287
+ if history is not None:
288
+ by_status = {date.attrib.get("PubStatus"): date for date in history.findall("PubMedPubDate")}
289
+ candidates.extend(by_status.get(status) for status in ("ppublish", "epublish", "pubmed", "entrez"))
290
+
291
+ for candidate in candidates:
292
+ year, value = _date_parts(candidate)
293
+ if year is not None:
294
+ return year, value
295
+ return None, None
296
+
297
+
298
+ def _journal_issns(journal: ET.Element | None) -> tuple[str | None, str | None]:
299
+ if journal is None:
300
+ return None, None
301
+ print_issn: str | None = None
302
+ electronic_issn: str | None = None
303
+ for element in journal.findall("ISSN"):
304
+ value = _element_text(element)
305
+ if value is None:
306
+ continue
307
+ issn_type = element.attrib.get("IssnType", "").casefold()
308
+ if issn_type == "electronic":
309
+ electronic_issn = electronic_issn or value
310
+ elif issn_type == "print":
311
+ print_issn = print_issn or value
312
+ return print_issn, electronic_issn
313
+
314
+
315
+ def _mesh(citation: ET.Element | None) -> tuple[list[str], list[str]]:
316
+ if citation is None:
317
+ return [], []
318
+ terms: list[str] = []
319
+ major_topics: list[str] = []
320
+ for heading in citation.findall("MeshHeadingList/MeshHeading"):
321
+ descriptor = heading.find("DescriptorName")
322
+ descriptor_text = _element_text(descriptor)
323
+ if descriptor_text is None:
324
+ continue
325
+ terms.append(descriptor_text)
326
+ if descriptor is not None and descriptor.attrib.get("MajorTopicYN") == "Y":
327
+ major_topics.append(descriptor_text)
328
+ for qualifier in heading.findall("QualifierName"):
329
+ qualifier_text = _element_text(qualifier)
330
+ if qualifier_text and qualifier.attrib.get("MajorTopicYN") == "Y":
331
+ major_topics.append(f"{descriptor_text}/{qualifier_text}")
332
+ return _unique(terms), _unique(major_topics)
333
+
334
+
335
+ def _parse_journal_article(element: ET.Element) -> Record:
336
+ citation = element.find("MedlineCitation")
337
+ if citation is None:
338
+ raise ValueError("PubmedArticle has no MedlineCitation")
339
+ article = citation.find("Article")
340
+ pubmed_data = element.find("PubmedData")
341
+ journal = article.find("Journal") if article is not None else None
342
+ journal_info = citation.find("MedlineJournalInfo")
343
+
344
+ pmid = _text_at(citation, "PMID")
345
+ if pmid is None:
346
+ raise ValueError("PubmedArticle has no PMID")
347
+
348
+ ids, flattened_ids = _article_ids(pubmed_data)
349
+ if article is not None:
350
+ for e_location in article.findall("ELocationID"):
351
+ if e_location.attrib.get("EIdType", "").casefold() != "doi":
352
+ continue
353
+ if value := _element_text(e_location):
354
+ ids.setdefault("doi", []).append(value)
355
+ flattened_ids.append(f"doi:{value}")
356
+
357
+ print_issn, electronic_issn = _journal_issns(journal)
358
+ year, publication_date = _publication_date(article, pubmed_data)
359
+ authors = _authors(article, ("AuthorList/Author",))
360
+ mesh_terms, mesh_major_topics = _mesh(citation)
361
+
362
+ return {
363
+ "pmid": pmid,
364
+ "pmcid": (ids.get("pmc") or ids.get("pmcid") or [None])[0],
365
+ "doi": (ids.get("doi") or [None])[0],
366
+ "title": _text_at(article, "ArticleTitle"),
367
+ "abstract": _abstract(article),
368
+ "journal": _text_at(journal, "Title"),
369
+ "year": year,
370
+ "issn": print_issn,
371
+ "eissn": electronic_issn,
372
+ "issn_linking": _text_at(journal_info, "ISSNLinking"),
373
+ "journal_abbrev": _text_at(journal, "ISOAbbreviation"),
374
+ "nlm_unique_id": _text_at(journal_info, "NlmUniqueID"),
375
+ "country": _text_at(journal_info, "Country"),
376
+ "volume": _text_at(journal, "JournalIssue/Volume"),
377
+ "issue": _text_at(journal, "JournalIssue/Issue"),
378
+ "pages": _text_at(article, "Pagination/MedlinePgn"),
379
+ "publication_date": publication_date,
380
+ "date_completed": _simple_date(citation.find("DateCompleted")),
381
+ "date_revised": _simple_date(citation.find("DateRevised")),
382
+ "citation_status": citation.attrib.get("Status"),
383
+ "publication_status": _text_at(pubmed_data, "PublicationStatus"),
384
+ "pub_model": article.attrib.get("PubModel") if article is not None else None,
385
+ "vernacular_title": _text_at(article, "VernacularTitle"),
386
+ "authors": authors,
387
+ "publication_types": _texts_at(article, "PublicationTypeList/PublicationType"),
388
+ "languages": _texts_at(article, "Language"),
389
+ "mesh_terms": mesh_terms,
390
+ "mesh_major_topics": mesh_major_topics,
391
+ "keywords": _unique(_texts_at(citation, "KeywordList/Keyword")),
392
+ "article_ids": _unique(flattened_ids),
393
+ }
394
+
395
+
396
+ def _parse_book_article(element: ET.Element) -> Record:
397
+ document = element.find("BookDocument")
398
+ if document is None:
399
+ raise ValueError("PubmedBookArticle has no BookDocument")
400
+ book_data = element.find("PubmedBookData")
401
+ book = document.find("Book")
402
+
403
+ pmid = _text_at(document, "PMID")
404
+ if pmid is None:
405
+ raise ValueError("PubmedBookArticle has no PMID")
406
+
407
+ ids, flattened_ids = _article_ids(document, book_data)
408
+ year, publication_date = _publication_date(None, book_data, book=book)
409
+ authors = _authors(
410
+ document,
411
+ (
412
+ "AuthorList/Author",
413
+ "Book/AuthorList/Author",
414
+ ),
415
+ )
416
+
417
+ return {
418
+ "pmid": pmid,
419
+ "pmcid": (ids.get("pmc") or ids.get("pmcid") or [None])[0],
420
+ "doi": (ids.get("doi") or [None])[0],
421
+ "title": _text_at(document, "ArticleTitle") or _text_at(book, "BookTitle"),
422
+ "abstract": _abstract(document),
423
+ "journal": _text_at(book, "BookTitle"),
424
+ "year": year,
425
+ "issn": None,
426
+ "eissn": None,
427
+ "issn_linking": None,
428
+ "journal_abbrev": None,
429
+ "nlm_unique_id": None,
430
+ "country": _text_at(book, "Publisher/PublisherLocation"),
431
+ "volume": _text_at(book, "Volume"),
432
+ "issue": None,
433
+ "pages": _text_at(document, "Pagination/MedlinePgn"),
434
+ "publication_date": publication_date,
435
+ "date_completed": None,
436
+ "date_revised": _simple_date(document.find("DateRevised")),
437
+ "citation_status": "Book",
438
+ "publication_status": _text_at(book_data, "PublicationStatus"),
439
+ "pub_model": None,
440
+ "vernacular_title": _text_at(document, "VernacularTitle"),
441
+ "authors": authors,
442
+ "publication_types": _texts_at(document, "PublicationType"),
443
+ "languages": _texts_at(document, "Language"),
444
+ "mesh_terms": [],
445
+ "mesh_major_topics": [],
446
+ "keywords": _unique(_texts_at(document, "KeywordList/Keyword")),
447
+ "article_ids": flattened_ids,
448
+ }
449
+
450
+
451
+ def _parse_record(element: ET.Element) -> Record:
452
+ if _local_name(element.tag) == "PubmedBookArticle":
453
+ return _parse_book_article(element)
454
+ return _parse_journal_article(element)
455
+
456
+
457
+ def _record_pmid(element: ET.Element) -> str:
458
+ citation = element.find("MedlineCitation")
459
+ document = element.find("BookDocument")
460
+ pmid = _text_at(citation, "PMID") or _text_at(document, "PMID")
461
+ if pmid is None:
462
+ raise ValueError(f"{_local_name(element.tag)} has no PMID")
463
+ return pmid
464
+
465
+
466
+ def _expected_md5(path: Path) -> str:
467
+ sidecar = path.with_name(f"{path.name}.md5")
468
+ try:
469
+ contents = sidecar.read_text().strip()
470
+ except FileNotFoundError as exc:
471
+ raise ValueError(f"Missing checksum sidecar: {sidecar}") from exc
472
+ match = re.search(r"\b([0-9a-fA-F]{32})\b", contents)
473
+ if match is None:
474
+ raise ValueError(f"Invalid MD5 sidecar: {sidecar}")
475
+ return match.group(1).casefold()
476
+
477
+
478
+ def _verify_md5(path: Path) -> None:
479
+ expected = _expected_md5(path)
480
+ with path.open("rb") as file:
481
+ actual = hashlib.file_digest(file, "md5").hexdigest()
482
+ if actual != expected:
483
+ raise ValueError(f"MD5 mismatch for {path}: expected {expected}, got {actual}")
484
+
485
+
486
+ def _iter_events(
487
+ path: Path,
488
+ *,
489
+ parse_records: bool,
490
+ verify_md5: bool,
491
+ ) -> Iterator[tuple[str, Record | None, bool]]:
492
+ if verify_md5:
493
+ _verify_md5(path)
494
+
495
+ with gzip.open(path, "rb") as file:
496
+ context = ET.iterparse(file, events=("start", "end"))
497
+ try:
498
+ _, root = next(context)
499
+ except StopIteration as exc:
500
+ raise ValueError(f"Empty XML file: {path}") from exc
501
+
502
+ for event, element in context:
503
+ if event != "end":
504
+ continue
505
+ tag = _local_name(element.tag)
506
+ if tag in {"PubmedArticle", "PubmedBookArticle"}:
507
+ record = _parse_record(element) if parse_records else None
508
+ pmid = record["pmid"] if record is not None else _record_pmid(element)
509
+ yield pmid, record, False
510
+ root.clear()
511
+ elif tag in {"DeleteCitation", "DeleteDocument"}:
512
+ for pmid_element in element.findall("PMID"):
513
+ if pmid := _element_text(pmid_element):
514
+ yield pmid, None, True
515
+ root.clear()
516
+
517
+
518
+ def _event_key(file_index: int, event_index: int) -> int:
519
+ return (file_index << 32) | event_index
520
+
521
+
522
+ def _index_update_file(task: tuple[int, Path, bool]) -> list[tuple[int, int, int]]:
523
+ file_index, path, verify_md5 = task
524
+ indexed: list[tuple[int, int, int]] = []
525
+ for event_index, (pmid, _, deleted) in enumerate(
526
+ _iter_events(path, parse_records=False, verify_md5=verify_md5),
527
+ start=1,
528
+ ):
529
+ indexed.append((int(pmid), _event_key(file_index, event_index), int(deleted)))
530
+ return indexed
531
+
532
+
533
+ def _query_changed_pmids(connection: sqlite3.Connection, pmids: Sequence[int]) -> set[int]:
534
+ changed: set[int] = set()
535
+ for offset in range(0, len(pmids), SQLITE_QUERY_CHUNK):
536
+ chunk = pmids[offset : offset + SQLITE_QUERY_CHUNK]
537
+ placeholders = ",".join("?" for _ in chunk)
538
+ rows = connection.execute(f"SELECT pmid FROM latest_updates WHERE pmid IN ({placeholders})", chunk)
539
+ changed.update(row[0] for row in rows)
540
+ return changed
541
+
542
+
543
+ def _query_latest_events(connection: sqlite3.Connection, pmids: Sequence[int]) -> dict[int, int]:
544
+ latest: dict[int, int] = {}
545
+ for offset in range(0, len(pmids), SQLITE_QUERY_CHUNK):
546
+ chunk = pmids[offset : offset + SQLITE_QUERY_CHUNK]
547
+ placeholders = ",".join("?" for _ in chunk)
548
+ rows = connection.execute(
549
+ f"SELECT pmid, event_key FROM latest_updates WHERE pmid IN ({placeholders})",
550
+ chunk,
551
+ )
552
+ latest.update(rows)
553
+ return latest
554
+
555
+
556
+ def _read_only_connection(path: Path) -> sqlite3.Connection:
557
+ connection = sqlite3.connect(path)
558
+ connection.execute("PRAGMA query_only = ON")
559
+ return connection
560
+
561
+
562
+ def _parse_baseline_file(task: tuple[Path, Path | None, bool]) -> ParsedFile:
563
+ path, state_db, verify_md5 = task
564
+ events = list(_iter_events(path, parse_records=True, verify_md5=verify_md5))
565
+ records = [record for _, record, _ in events if record is not None]
566
+ if state_db is not None and records:
567
+ connection = _read_only_connection(state_db)
568
+ try:
569
+ changed = _query_changed_pmids(connection, [int(record["pmid"]) for record in records])
570
+ finally:
571
+ connection.close()
572
+ records = [record for record in records if int(record["pmid"]) not in changed]
573
+ return ParsedFile(table=pa.Table.from_pylist(records, schema=PARQUET_SCHEMA), event_count=len(events))
574
+
575
+
576
+ def _parse_update_file(task: tuple[int, Path, Path]) -> ParsedFile:
577
+ file_index, path, state_db = task
578
+ events = list(_iter_events(path, parse_records=True, verify_md5=False))
579
+ connection = _read_only_connection(state_db)
580
+ try:
581
+ latest = _query_latest_events(connection, [int(pmid) for pmid, _, _ in events])
582
+ finally:
583
+ connection.close()
584
+
585
+ records: list[Record] = [
586
+ record
587
+ for event_index, (pmid, record, _) in enumerate(events, start=1)
588
+ if record is not None and latest.get(int(pmid)) == _event_key(file_index, event_index)
589
+ ]
590
+ return ParsedFile(table=pa.Table.from_pylist(records, schema=PARQUET_SCHEMA), event_count=len(events))
591
+
592
+
593
+ def _ordered_process_map[Task, Result](
594
+ function: Callable[[Task], Result],
595
+ tasks: Iterable[Task],
596
+ *,
597
+ workers: int,
598
+ ) -> Iterator[Result]:
599
+ if workers == 1:
600
+ yield from map(function, tasks)
601
+ return
602
+
603
+ task_iterator = iter(tasks)
604
+ with concurrent.futures.ProcessPoolExecutor(max_workers=workers) as executor:
605
+ pending: deque[concurrent.futures.Future[Result]] = deque()
606
+ for _ in range(workers):
607
+ try:
608
+ pending.append(executor.submit(function, next(task_iterator)))
609
+ except StopIteration:
610
+ break
611
+
612
+ while pending:
613
+ yield pending.popleft().result()
614
+ with contextlib.suppress(StopIteration):
615
+ pending.append(executor.submit(function, next(task_iterator)))
616
+
617
+
618
+ def _discover_files(directory: Path) -> list[DistributionFile]:
619
+ files: list[DistributionFile] = []
620
+ for path in directory.glob("pubmed*n*.xml.gz"):
621
+ if match := FILE_RE.fullmatch(path.name):
622
+ files.append(
623
+ DistributionFile(
624
+ path=path,
625
+ release=int(match.group("release")),
626
+ sequence=int(match.group("sequence")),
627
+ )
628
+ )
629
+ return sorted(files, key=lambda item: (item.release, item.sequence))
630
+
631
+
632
+ def _assert_contiguous(files: Sequence[DistributionFile], label: str) -> None:
633
+ for previous, current in zip(files, files[1:], strict=False):
634
+ if current.release != previous.release or current.sequence != previous.sequence + 1:
635
+ raise ValueError(f"{label} files are not contiguous between {previous.path.name} and {current.path.name}")
636
+
637
+
638
+ def discover_distribution(
639
+ input_root: Path, *, baseline_only: bool
640
+ ) -> tuple[list[DistributionFile], list[DistributionFile]]:
641
+ baseline = _discover_files(input_root / "baseline")
642
+ updates = [] if baseline_only else _discover_files(input_root / "updatefiles")
643
+ if not baseline:
644
+ raise ValueError(f"No PubMed baseline XML files found in {input_root / 'baseline'}")
645
+ if baseline[0].sequence != 1:
646
+ raise ValueError(f"The baseline starts at {baseline[0].path.name}, not sequence 0001")
647
+ _assert_contiguous(baseline, "Baseline")
648
+ _assert_contiguous(updates, "Update")
649
+
650
+ if updates:
651
+ expected_first_update = baseline[-1].sequence + 1
652
+ if updates[0].release != baseline[-1].release or updates[0].sequence != expected_first_update:
653
+ raise ValueError(
654
+ f"Expected the first update after {baseline[-1].path.name} to have sequence "
655
+ f"{expected_first_update:04d}, found {updates[0].path.name}"
656
+ )
657
+ return baseline, updates
658
+
659
+
660
+ def _build_update_index(
661
+ update_files: Sequence[DistributionFile],
662
+ state_db: Path,
663
+ *,
664
+ workers: int,
665
+ verify_md5: bool,
666
+ ) -> tuple[int, int, int]:
667
+ with sqlite3.connect(state_db) as connection:
668
+ connection.execute("PRAGMA journal_mode = OFF")
669
+ connection.execute("PRAGMA synchronous = OFF")
670
+ connection.execute(
671
+ """
672
+ CREATE TABLE latest_updates (
673
+ pmid INTEGER PRIMARY KEY,
674
+ event_key INTEGER NOT NULL,
675
+ deleted INTEGER NOT NULL
676
+ )
677
+ """
678
+ )
679
+ tasks = ((index, item.path, verify_md5) for index, item in enumerate(update_files))
680
+ total_events = 0
681
+ results = _ordered_process_map(_index_update_file, tasks, workers=workers)
682
+ for indexed in tqdm(results, total=len(update_files), desc="Index updates", unit="file"):
683
+ total_events += len(indexed)
684
+ connection.executemany(
685
+ """
686
+ INSERT INTO latest_updates (pmid, event_key, deleted)
687
+ VALUES (?, ?, ?)
688
+ ON CONFLICT(pmid) DO UPDATE SET
689
+ event_key = excluded.event_key,
690
+ deleted = excluded.deleted
691
+ WHERE excluded.event_key > latest_updates.event_key
692
+ """,
693
+ indexed,
694
+ )
695
+ connection.commit()
696
+ counts = connection.execute("SELECT count(), coalesce(sum(deleted), 0) FROM latest_updates").fetchone()
697
+ assert counts is not None
698
+ latest_events, latest_deletions = counts
699
+ return total_events, latest_events, latest_deletions
700
+
701
+
702
+ def _parquet_schema(baseline: Sequence[DistributionFile], updates: Sequence[DistributionFile]) -> pa.Schema:
703
+ metadata = {
704
+ b"source": b"NLM PubMed baseline and daily update XML",
705
+ b"pubmed_release": str(baseline[0].release).encode(),
706
+ b"baseline_first_file": baseline[0].path.name.encode(),
707
+ b"baseline_last_file": baseline[-1].path.name.encode(),
708
+ b"update_last_file": (updates[-1].path.name if updates else "").encode(),
709
+ }
710
+ return PARQUET_SCHEMA.with_metadata(metadata)
711
+
712
+
713
+ def build_parquet(
714
+ input_root: Path,
715
+ output: Path,
716
+ *,
717
+ workers: int = DEFAULT_WORKERS,
718
+ baseline_only: bool = False,
719
+ verify_md5: bool = True,
720
+ overwrite: bool = False,
721
+ compression_level: int = 3,
722
+ ) -> None:
723
+ """Build one Parquet file containing the final live version of each PMID."""
724
+ if workers < 1:
725
+ raise ValueError("workers must be at least 1")
726
+ if output.exists() and not overwrite:
727
+ raise FileExistsError(f"Output exists; pass --overwrite to replace it: {output}")
728
+
729
+ baseline, updates = discover_distribution(input_root, baseline_only=baseline_only)
730
+ print(
731
+ f"Found {len(baseline):,} baseline files"
732
+ + (f" and {len(updates):,} update files" if updates else " (baseline only)")
733
+ )
734
+ output.parent.mkdir(parents=True, exist_ok=True)
735
+ partial_output = output.with_name(f".{output.name}.partial")
736
+ if partial_output.exists():
737
+ if not overwrite:
738
+ raise FileExistsError(f"Partial output exists; pass --overwrite to replace it: {partial_output}")
739
+ partial_output.unlink()
740
+
741
+ total_input_events = 0
742
+ total_output_rows = 0
743
+ update_event_count = 0
744
+ latest_update_count = 0
745
+ latest_deletion_count = 0
746
+ try:
747
+ with tempfile.TemporaryDirectory(prefix="pubmed-parquet-", dir=output.parent) as temp_dir:
748
+ state_db = Path(temp_dir) / "latest_updates.sqlite3"
749
+ state_db_or_none: Path | None = None
750
+ if updates:
751
+ update_event_count, latest_update_count, latest_deletion_count = _build_update_index(
752
+ updates,
753
+ state_db,
754
+ workers=workers,
755
+ verify_md5=verify_md5,
756
+ )
757
+ state_db_or_none = state_db
758
+
759
+ schema = _parquet_schema(baseline, updates)
760
+ with pq.ParquetWriter(
761
+ partial_output,
762
+ schema,
763
+ compression="zstd",
764
+ compression_level=compression_level,
765
+ use_dictionary=[
766
+ "journal",
767
+ "year",
768
+ "country",
769
+ "citation_status",
770
+ "publication_status",
771
+ "pub_model",
772
+ ],
773
+ write_statistics=["pmid", "pmcid", "doi", "journal", "year"],
774
+ ) as writer:
775
+ baseline_tasks = ((item.path, state_db_or_none, verify_md5) for item in baseline)
776
+ baseline_results = _ordered_process_map(_parse_baseline_file, baseline_tasks, workers=workers)
777
+ for parsed in tqdm(baseline_results, total=len(baseline), desc="Write baseline", unit="file"):
778
+ total_input_events += parsed.event_count
779
+ if parsed.table.num_rows:
780
+ writer.write_table(parsed.table)
781
+ total_output_rows += parsed.table.num_rows
782
+
783
+ if updates:
784
+ update_tasks = ((index, item.path, state_db) for index, item in enumerate(updates))
785
+ update_results = _ordered_process_map(_parse_update_file, update_tasks, workers=workers)
786
+ for parsed in tqdm(update_results, total=len(updates), desc="Write updates", unit="file"):
787
+ if parsed.table.num_rows:
788
+ writer.write_table(parsed.table)
789
+ total_output_rows += parsed.table.num_rows
790
+
791
+ partial_output.replace(output)
792
+ except BaseException:
793
+ partial_output.unlink(missing_ok=True)
794
+ raise
795
+
796
+ print(f"Wrote {total_output_rows:,} current PubMed records to {output}")
797
+ print(f"Read {total_input_events:,} baseline records")
798
+ if updates:
799
+ print(
800
+ f"Processed {update_event_count:,} update events affecting {latest_update_count:,} PMIDs "
801
+ f"({latest_deletion_count:,} deleted in their latest event)"
802
+ )
803
+
804
+
805
+ def _parse_args() -> argparse.Namespace:
806
+ parser = argparse.ArgumentParser(description=__doc__)
807
+ parser.add_argument(
808
+ "--input-root",
809
+ type=Path,
810
+ default=DEFAULT_INPUT_ROOT,
811
+ help=f"Directory containing baseline/ and updatefiles/ (default: {DEFAULT_INPUT_ROOT})",
812
+ )
813
+ parser.add_argument("--output", type=Path, required=True, help="Destination .parquet file")
814
+ parser.add_argument(
815
+ "--workers", type=int, default=DEFAULT_WORKERS, help=f"Parser processes (default: {DEFAULT_WORKERS})"
816
+ )
817
+ parser.add_argument("--baseline-only", action="store_true", help="Ignore daily update files")
818
+ parser.add_argument("--skip-md5", action="store_true", help="Do not validate mirrored files against .md5 sidecars")
819
+ parser.add_argument("--overwrite", action="store_true", help="Atomically replace an existing output file")
820
+ parser.add_argument("--compression-level", type=int, default=3, help="Zstandard compression level (default: 3)")
821
+ return parser.parse_args()
822
+
823
+
824
+ def main() -> None:
825
+ args = _parse_args()
826
+ build_parquet(
827
+ args.input_root,
828
+ args.output,
829
+ workers=args.workers,
830
+ baseline_only=args.baseline_only,
831
+ verify_md5=not args.skip_md5,
832
+ overwrite=args.overwrite,
833
+ compression_level=args.compression_level,
834
+ )
835
+
836
+
837
+ if __name__ == "__main__":
838
+ main()