Catalogue tag

#nmr-spectroscopy

Every repository in the public record carrying this tag — from its GitHub topics or the keywords its package registries publish. Health is measured under the same versioned methodology as the rest of the record.

10 records

Tagged “nmr-spectroscopy”Ranked by health index

npm

87Excellenthealth index

cheminfo/nmrium

React component to display and process nuclear magnetic resonance (NMR) spectra.

TypeScript★ 80↓ 2,112/moJul 15, 2026

MITJul 15, 2026 · metrics 2.10.0

PyPI

78Goodhealth index

elkins/synth-pdb

Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development. Jupyter Notebook tutorials are available to visualize the concepts..

Python★ 1↓ 3,758/moJul 15, 2026

MITJul 15, 2026 · metrics 2.10.0

PyPI

71Goodhealth index

elkins-lab/synth-pdb

Generate realistic PDB files with mixed secondary structures for testing, education and bioinformatics tool development. Jupyter Notebook tutorials are available to visualize the concepts..

Python★ 1Jul 17, 2026

MITJul 17, 2026 · metrics 2.10.0

PyPI

63Moderatehealth index

elkins-lab/diff-biophys

Differentiable biophysical modeling in JAX (SAXS, NMR, CD), with Jupyter Notebook examples.

Python★ 0Jul 17, 2026

MITJul 17, 2026 · metrics 2.10.0

PyPI

62Moderatehealth index

elkins-lab/synth-nmr

NMR spectroscopy calculations for protein structures. Jupyter Notebook tutorials are available to visualize the concepts.

Python★ 2Jul 17, 2026

MITJul 17, 2026 · metrics 2.10.0

PyPI

59Moderatehealth index

elkins-lab/resonance-flow

JAX-native differentiable protein folding framework integrating experimental NMR constraints (RDCs) and biophysical "self-correction." Several Jupyter Notebooks visualize the concepts.

Python★ 1Jul 17, 2026

MITJul 17, 2026 · metrics 2.10.0

PyPI

57Moderatehealth index

elkins-lab/diff-ensemble

Differentiable VAE framework for predicting protein structural ensembles (IDPs) consistent with SAXS and NMR data. Built on JAX/Flax.

Python★ 1↓ 158/moJul 17, 2026

MITJul 17, 2026 · metrics 2.10.0

PyPI

48Weakhealth index

elkins-lab/synth-dynamics

Fast Langevin dynamics engine using the Anisotropic Network Model (ANM) for rapid protein conformational ensemble generation.

Python · Shell★ 1Jul 17, 2026

MITJul 17, 2026 · metrics 2.10.0

npm

44Weakhealth index

cheminfo/nmr-parser

read and convert any NMR file

JavaScript★ 11↓ 649/moJul 15, 2026

MITJul 15, 2026 · metrics 2.10.0

npm

42Weakhealth index

ghost---shadow/vamos-hose

No repository description published.

JavaScript · Python★ 0↓ 77/moJul 15, 2026

AGPL-3.0Jul 15, 2026 · metrics 2.10.0