Alternatives and similar repositories for simpson

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

• jjhelmus / nmrglue
  A module for working with NMR data in Python
  ☆236Updated last week
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆29Updated this week
• choderalab / automatic-equilibration-detection
  Automatic detection of equilibrated regions of molecular simulations
  ☆17Updated 8 years ago
• bennomeier / pyNMR
  A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format
  ☆37Updated 2 months ago
• sametz / nmrsim
  A Python library for NMR simulation
  ☆25Updated last year
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated last year
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆94Updated this week
• deepanshs / mrsimulator
  A fast solid-state NMR spectrum simulation and analysis library.
  ☆40Updated 2 weeks ago
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 10 months ago
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆199Updated this week
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆33Updated last year
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆98Updated 4 years ago
• nzhagen / jcamp
  A set of Python utilities for reading JCAMP-DX files.
  ☆55Updated 2 weeks ago
• nutjunkie / IQmol
  IQmol is an open source molecular editor and visualization package
  ☆106Updated 2 years ago
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆174Updated 2 months ago
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆146Updated 3 months ago
• mosdef-hub / mosdef-workflows
  Sample molecular simulation workflows using a MoSDeF and community tools
  ☆14Updated 3 years ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 2 months ago
• MDAnalysis / pytng
  Python bindings for TNG file format
  ☆13Updated 3 weeks ago
• hauser-group / pyQChem
  A Python module for scripting with Q-Chem
  ☆14Updated 3 years ago
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆184Updated 2 months ago
• spectrochempy / spectrochempy
  SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python
  ☆150Updated this week
• MaginnGroup / Cassandra
  Cassandra is a Monte Carlo package to conduct atomistic simulations.
  ☆46Updated last year
• FATSLiM / fatslim
  Main code repository for FATSLiM
  ☆21Updated 3 years ago
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆213Updated last year
• SSAGESproject / SSAGES
  Software Suite for Advanced General Ensemble Simulations
  ☆90Updated 2 years ago
• scotthartley / blmol
  A script for importing molecular geometries into Blender
  ☆36Updated 3 years ago
• glotzerlab / gsd
  Read and write GSD files for use with HOOMD-blue.
  ☆27Updated this week
• jacobjma / PyQSTEM
  A Python interface to the electron microscopy simulation program QSTEM
  ☆64Updated 4 years ago
• gsantoni / ccCluster
  ☆10Updated 3 years ago