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RNAValidate: CPU-only validator for AI-predicted 3D RNA structures

A developer has released RNAValidate, an open-source validator that checks AI-predicted 3D RNA structures against experimental data such as FRET, cryo-EM, and SHAPE/DMS probing. The tool applies five rules to flag structures likely to degrade before measurement, potentially saving thousands of dollars per design by preventing synthesis of invalid structures. RNAValidate is predictor-agnostic and works with outputs from AlphaFold-3, RiboSphere, and RoseTTAFold-RNA.

read1 min views1 publishedJul 12, 2026

A predictor-agnostic linter that checks AI-predicted 3D RNA structures against experimental data (FRET, cryo-EM, SHAPE/DMS probing, designability) — and flags the ones that will hydrolyze before you can measure them.

Predictors and designers (AlphaFold-3, RiboSphere, RoseTTAFold-RNA) are plentiful; an open-source, reproducible layer that audits a predicted 3D RNA structure against experimental evidence is not. Validating before synthesis saves thousands of USD per design.

RNAValidate reads the PDB + JSON you produce and applies five rules:

F1 is a DERIVED rule (risk R5), proposed by the author and not extracted from a single paper. It needs experimental validation against measured degradation (tube half-life) before promotion to a hard rule. Thresholds (FRET RMSD, cryo-EM CC) are documented chemistry, not tuned to the fixtures. Fixtures use a minimal synthetic hairpin PDB plus example FRET (external-validity, not circular).

pip install -e .
rnvalidate check --in structure.pdb --exp exp.json --format json

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

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