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
  ☆242Updated 2 months ago
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆33Updated this week
• nzhagen / jcamp
  A set of Python utilities for reading JCAMP-DX files.
  ☆57Updated 3 months ago
• MolSSI / cookiecutter-cms
  Python-centric Cookiecutter for Molecular Computational Chemistry Packages
  ☆442Updated 3 weeks ago
• jalemkul / gmx_tutorials_livecoms
  LiveCoMS GROMACS Tutorials Paper
  ☆133Updated 6 years ago
• Amber-MD / pytraj
  Python interface of cpptraj
  ☆184Updated last week
• Becksteinlab / GromacsWrapper
  GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).
  ☆183Updated 3 months ago
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆126Updated last month
• sametz / nmrsim
  A Python library for NMR simulation
  ☆25Updated last year
• avirshup / py3dmol
  ☆130Updated 9 years ago
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆209Updated last week
• cheminfo / nmrium
  React component to display and process nuclear magnetic resonance (NMR) spectra.
  ☆67Updated this week
• spike-project / spike
  SPIKE a collaborative development for a FT-spectroscopy processing program.
  ☆20Updated last month
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆147Updated 6 months ago
• willfinnigan / kinetics
  Python package for modelling enzyme reactions using Monte carlo sampling from parameter distributions
  ☆31Updated 5 months ago
• marrink-lab / polyply_1.0
  Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
  ☆174Updated last week
• Electrostatics / apbs-pdb2pqr
  APBS - software for biomolecular electrostatics and solvation
  ☆129Updated 5 years ago
• vosegaard / simpson
  ☆22Updated 6 years ago
• kassonlab / gmxapi
  (outdated) fork of https://gitlab.com/gromacs/gromacs
  ☆53Updated 2 years ago
• project-gemmi / gemmi
  macromolecular crystallography library and utilities
  ☆305Updated this week
• jchodera / statmech-for-biochemists
  A primer on statistical mechanics for biochemists
  ☆48Updated 3 years ago
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆235Updated this week
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆372Updated last week
• weisscharlesj / SciCompforChemists
  Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…
  ☆301Updated 2 months ago
• jensengroup / propka
  PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
  ☆326Updated last year
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• mcs07 / ChemSpiPy
  Python wrapper for the ChemSpider API
  ☆120Updated 7 years ago
• marrink-lab / vermouth-martinize
  Describe and apply transformation on molecular structures and topologies
  ☆128Updated last week
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆205Updated this week
• 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 8 months ago