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nmr-model-validation

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NMR Model Validation — raw dataset

355 simulated and 60 experimental proteins, each with unassigned 15N-HSQC, 15N-NOESY-HSQC and 13C-NOESY-HSQC spectra and 8 candidate structure models with per-residue accuracy labels.

nmrval_raw.zip: the raw dataset (see GENERATION.md inside).
nmrval_generator.zip: the code that generated it, plus prepare.py and grade.py.

Direct download: https://huggingface.co/datasets/amirmmahdavikia/nmr-model-validation/resolve/main/nmrval_raw.zip

Sources: NMR-DB 100-protein dataset (CC BY 4.0), PDB (CC0), BMRB (public domain).

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1.15 GB