Stamp bindingdb_release in query() attrs, disclose data license, bound dependency versions - #4
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… bound dependency versions query() never set df.attrs["bindingdb_release"], unlike scigantic-chembl's own query(), which stamps df.attrs["chembl_release"] on every call. This is a real API-parity gap between two packages built to mirror each other's shape; fixed to match chembl's exact mechanism. Also: README now discloses BindingDB's data license, which is a per-row mix of CC BY 3.0 (BindingDB's own curated rows) and CC BY-SA 3.0 (rows imported from ChEMBL, per the curation_source column), separate from this package's own MIT-0 code license; chembl_bridge() results specifically carry ChEMBL's share-alike terms on their ChEMBL-matched columns. duckdb/pandas dependencies now carry upper bounds matching scigantic- chembl's; added CHANGELOG.md backfilled from git/tag history; added pytest-cov as a local (non-gating) coverage option. 0.2.5.
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Summary
query()now setsdf.attrs["bindingdb_release"]with the release actually used, matchingscigantic_chembl.query()'s existingdf.attrs["chembl_release"]mechanism exactly. Real API-parity gap between two packages built to mirror each other's shape.curation_source = 'ChEMBL', 51.3% of the 202608 release), separate from this package's own MIT-0 code license. Calls out thatchembl_bridge()results carry ChEMBL's share-alike terms on their ChEMBL-matched columns regardless of the underlying measurement's own source.duckdbandpandas, matching the bounds just added to scigantic-chembl for the same libraries.CHANGELOG.md, backfilled from git/tag history.pytest-covas a local, non-CI-gating coverage option.Repo discoverability (topics, homepage) was fixed directly via
gh repo edit, not in this PR.Test plan
pytest -q— 43 passed, including two new tests for thebindingdb_releaseattrs stampmypy src/scigantic_bindingdb— no issues