Refactor MapDiff into a complete reusable pipeline - #25
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August 4, 2026 10:33
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Summary
loader -> preprocessor -> model.embed(**inputs) -> model.generate/predict(**embeddings)kaleproteintrain.pyworkflowWhy
The previous example mixed preprocessing with collation, carried toy and upstream-compatibility copies, and did not faithfully represent the published MapDiff architecture or checkpoint. This made the example harder to understand, reuse, and validate through the Auto APIs.
User impact
The MapDiff example now provides a clean but complete inverse-folding pipeline without importing the original repository. Official CATH processed graph features are preserved, including five-atom coordinates and the real C-beta position. The official v1.0.1 checkpoint is loaded strictly against a checked release-state manifest instead of silently falling back to a partial model.
Validation
pytest -q: 85 passedgit diff --check