NMRDfromMD repositories

8 repositories

nmrdfrommd.github.io
Public
This repository contains the documentation for the NMRDfromMD Python package.
python open-source analysis
python open-source analysis molecular-dynamics nmr lammps gromacs mdanalysis nmrd
GNU General Public License v3.0
•0•1•0•1•Updated Jul 23, 2026Jul 23, 2026
dataset-protein-in-water
Public
This repository contains a dataset for the NMRDfromMD Python package.
python open-source analysis
python open-source analysis molecular-dynamics dataset nmr lammps mdanalysis nmrd
Python
•
Creative Commons Attribution 4.0 International
•0•0•0•0•Updated Jul 21, 2026Jul 21, 2026
dataset-water-in-silica
Public
This repository contains a dataset for the NMRDfromMD Python package.
Jupyter Notebook
•
Creative Commons Attribution 4.0 International
•0•0•0•0•Updated Jul 18, 2026Jul 18, 2026
dataset-peg-water-mixture
Public
This repository contains a dataset for the NMRDfromMD Python package.
python open-source analysis
python open-source analysis molecular-dynamics dataset nmr lammps mdanalysis nmrd
Jupyter Notebook
•
Creative Commons Attribution 4.0 International
•0•0•0•0•Updated Jul 17, 2026Jul 17, 2026
nmrdfrommd
Public
This repository contains the NMRDfromMD Python package.
python documentation pytest
python documentation pytest nmr correlation-analysis relaxation-time nmrd relaxation-rate
Python
•
GNU General Public License v3.0
•1•6•0•0•Updated Jul 17, 2026Jul 17, 2026
dataset-LJ-fluid
Public
This repository contains a dataset for the NMRDfromMD Python package.
python open-source analysis
python open-source analysis molecular-dynamics dataset nmr lammps mdanalysis nmrd
Jupyter Notebook
•
Creative Commons Attribution 4.0 International
•0•0•0•0•Updated Jul 14, 2026Jul 14, 2026
dataset-pure-water
Public
This repository contains a dataset for the NMRDfromMD Python package.
python open-source analysis
python open-source analysis molecular-dynamics dataset nmr lammps mdanalysis nmrd
Jupyter Notebook
•
Creative Commons Attribution 4.0 International
•0•0•0•0•Updated Jun 30, 2026Jun 30, 2026
.github
Public
0•0•0•0•Updated May 6, 2025May 6, 2025

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NMRD from MD

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8 repositories

nmrdfrommd.github.io

dataset-protein-in-water

dataset-water-in-silica

dataset-peg-water-mixture

nmrdfrommd

dataset-LJ-fluid

dataset-pure-water

.github

Repositories list

8 repositories