nmr
Datasets
All datasets matching “nmr”opendatalab-experimental-nmr-peaks
OpenDataLab Experimental NMR Peaks Dataset
Dataset Description
This dataset contains experimental NMR (Nuclear Magnetic Resonance) peak sequences extracted from the OpenDataLab experimental spectra database. The dataset includes both H-NMR and C-NMR peak sequences for chemical compounds, along with their SMILES representations and molecular formulas.
Dataset Summary
Total Samples: 533,595 compounds
Batches: 333 batch files
Data Source: Experimental spectra… See the full description on the dataset page: https://huggingface.co/datasets/snehasis19/opendatalab-experimental-nmr-peaks.NMR-analysisnmr-canonical-cleaned
Canonical NMR Dataset Collection — Data Card
Dataset release: v4
Canonical schema: v2
Spectral modalities: 1H and 13C resonance-level peak lists
Collection overview
This release brings several of the largest openly available processed NMR
corpora used by current deep-learning methods into one model-independent
schema. It combines simulated and literature-derived spectra while preserving
the provenance and annotation coverage of every source.
The collection has… See the full description on the dataset page: https://huggingface.co/datasets/niccogreek/nmr-canonical-cleaned.nmrexp-cnmr-400knmr-baseline-datasetnmr-belief-cascade
BeliefCascade Branch Grid
Each row is one complete sequential belief-revision episode. The benchmark
uses a 432-condition grid: nodes per level {2, 3, 4, 5}, level counts
{3, 4, 5}, out-/in-degree complexity bands {20, 50, 80}, and revision
types {monotonic, nmr_retraction, nmr_newinfo, nmr_mixed}. There are 10
train and 50 test episodes for every condition (4,320 train / 21,600 test).
Columns
text: atoms, static dependencies, and inference policy.
belief:… See the full description on the dataset page: https://huggingface.co/datasets/leo-bjpark/nmr-belief-cascade.