feat(admet): expose method parameter for togo/maplight inference - #597
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Forward the admet-properties tool's method input from the SDK so callers can choose Togo embeddings or MapLight fingerprints.
Avoid sending method=togo when it matches the tool default so dev environments on older admet-properties builds keep working.
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Pull request overview
This PR updates the Admet execution wrapper to expose an explicit method parameter so SDK callers can select between the platform’s default Togo inference path and the MapLight path, aligning the SDK API with the deeporigin.admet-properties tool schema.
Changes:
- Add
methodparameter toAdmet(default"togo") and forward it into the tool inputs only when non-default. - Add local mock-server tests covering default omission and explicit inclusion of
methodin_make_inputs(). - Update ligand documentation to describe
methodand show a MapLight example.
Reviewed changes
Copilot reviewed 3 out of 3 changed files in this pull request and generated 1 comment.
| File | Description |
|---|---|
src/drug_discovery/admet.py |
Adds method parameter + property and conditionally includes it in tool inputs payload. |
tests/test_admet_local.py |
Adds regression tests for default vs explicit method serialization into inputs. |
docs/dd/how-to/ligands.md |
Documents the new method option and provides an additional MapLight usage snippet. |
Comment on lines
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to
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| df = Admet( | ||
| ligands=[ligand], | ||
| properties=["hERG_classification", "AMES_classification"], | ||
| method="maplight", | ||
| ).run() |
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Summary
Expose the
methodinput onAdmetso SDK callers can choose between Togo (default) and MapLight inference paths, matching thedeeporigin.admet-propertiestool schema.Merge-ready status
Auto-updated — cycle 3, last updated: 2026-07-30T00:31:20Z
main772b84d4491c20Recent activity
Test plan
uv run pytest tests/test_admet_local.py --env local