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cryoval: CPU-only validator for cryo-EM/ET maps

devto 2026-07-13 원문 보기 ↗


cryoval: CPU-only validator for cryo-EM/ET maps

A reconstructor-agnostic linter that checks cryo-EM/ET maps for overfitting, particle-picking bias, and local map-noise hallucination — before you trust a deposited or generated map.

The gap

Reconstruction ecosystems (RELION, Scipion, Topaz, IsoNet) are plentiful; an open-source, reproducible layer that audits a produced map against the data is not. As of the 2026-07-11 batch scan, the GitHub count for a "cryo-EM map validation tool" was 0.

What it does

cryoval reads the JSON you produce with your reconstrucor and applies four rules:

Transparency note

H1 is a DERIVED rule (risk R5), proposed by the author and not extracted from a single paper. It needs experimental validation against a gold-standard FSC on real EMDB maps before promotion to a hard rule. Thresholds (FSC=0.143, POPSICLE IoU) are documented physics, not tuned to the fixtures. Fixtures use synthetic controlled maps (external-validity, not circular).

Results

Try it

pip install -e .
cryoval check --in fixtures/ --format md

Stack

Links

License: AGPL-3.0-or-later (c) 2026 Pedro Sordo Martinez — amurlaniakea@gmail.com