Alternatives and similar repositories for pyNMR:

Users that are interested in pyNMR are comparing it to the libraries listed below

• jjhelmus / nmrglue
  A module for working with NMR data in Python
  ☆222Updated 4 months ago
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆24Updated 2 weeks ago
• vosegaard / simpson
  ☆22Updated 5 years ago
• sametz / nmrsim
  A Python library for NMR simulation
  ☆24Updated last year
• spike-project / spike
  SPIKE a collaborative development for a FT-spectroscopy processing program.
  ☆17Updated 6 months ago
• nzhagen / jcamp
  A set of Python utilities for reading JCAMP-DX files.
  ☆54Updated 2 months ago
• dseeliger / pmx
  Toolkit for free-energy calculation setup/analysis and biomolecular structure handling
  ☆60Updated 3 years ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆124Updated last month
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆112Updated 5 years ago
• supramolecular-toolkit / stk
  Mirror of https://github.com/lukasturcani/stk - please file issues / fork / star that repo.
  ☆21Updated 2 years ago
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated last year
• nmrML / nmrML
  nmrML is an open mark-up language for NMR data. This is the official repository for development of the nmrML schema and NMR ontology.
  ☆30Updated this week
• MobleyLab / Lomap
  Alchemical mutation scoring map
  ☆37Updated 2 years ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆78Updated 6 months ago
• Farseer-NMR / FarSeer-NMR
  A software suite for automatic treatment, analysis and plotting of large and multivariable datasets of bioNMR peaklists.
  ☆10Updated 4 years ago
• gogulan-k / FID-Net
  Deep Neural Networks for Analysing NMR time domain data
  ☆10Updated 6 months ago
• openforcefield / openforcefield-forcebalance
  Optimization of OpenFF parameters using ForceBalance and QCArchive
  ☆11Updated 3 years ago
• jag1g13 / pycgtool
  Generate coarse-grained molecular dynamics models from atomistic trajectories.
  ☆63Updated 2 years ago
• MDAnalysis / pmda
  Parallel algorithms for MDAnalysis
  ☆31Updated 7 months ago
• MobleyLab / basic_simulation_training
  A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations …
  ☆114Updated 6 years ago
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆31Updated 4 months ago
• dmzuckerman / Sampling-Uncertainty
  Best Practices article intended for LiveCoMS
  ☆39Updated 5 years ago
• Marcello-Sega / pytim
  a python package for the interfacial analysis of molecular simulations
  ☆85Updated last week
• MayLab-UConn / BUMPy
  ☆23Updated 3 years ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated 2 months ago
• deepanshs / mrsimulator
  A fast solid-state NMR spectrum simulation and analysis library.
  ☆37Updated 3 weeks ago
• patonlab / GoodVibes
  Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections
  ☆142Updated 6 months ago
• cgmartini / martinize.py
  Create coarse grain Martini input files for Gromacs from (atomistic) pdb files.
  ☆33Updated 2 years ago
• skblnw / mkvmd_render
  How to make images for publication using VMD
  ☆31Updated 3 years ago
• patrickfuchs / buildH
  Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.
  ☆14Updated 2 years ago