The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata)

Tabular CSV exports of the LOTUS Initiative (https://doi.org/10.7554/eLife.70780) data from https://www.wikidata.org. File Description {date_str}_frozen.csv.gz Core triplet table: each row is a unique (structure InChIKey, organism Wikidata QID, reference Wikidata QID) triple with organism name, reference DOI, and manual validation status. {date_str}_frozen_metadata.csv.gz Comprehensive metadata table: enriched with structural descriptors (InChI, SMILES, molecular formula, exact mass, stereocenters), chemical classifications (NPClassifier, ClassyFire), biological taxonomy (Open Tree of Life), PubChem compound properties, and literature references (DOI, PMID, PMCID). {date_str}_changes_report.txt Change report: summary of additions and removals compared to the previous version. lotus_exporter.py Generator script (marimo notebook): reproduces all output files from live Wikidata. Run with: uv run lotus_exporter.py export -o ./output -v