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
  ☆230Updated 3 months ago
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆27Updated 2 months ago
• sametz / nmrsim
  A Python library for NMR simulation
  ☆24Updated last year
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆80Updated 10 months ago
• bennomeier / pyNMR
  A python module to import NMR data stored in Bruker / TopSpin, TecMag / NTNMR, Magritek / Kea or Chemagnetics / Spinsight format
  ☆36Updated 2 weeks ago
• FATSLiM / fatslim
  Main code repository for FATSLiM
  ☆21Updated 3 years ago
• choderalab / automatic-equilibration-detection
  Automatic detection of equilibrated regions of molecular simulations
  ☆17Updated 8 years ago
• dials / dials
  Diffraction Integration for Advanced Light Sources
  ☆92Updated this week
• mcocdawc / chemcoord
  A python module for manipulating cartesian and internal coordinates.
  ☆82Updated last week
• westpa / westpa
  WESTPA: The Weighted Ensemble Simulation Toolkit with Parallelization and Analysis
  ☆203Updated this week
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆33Updated 8 months ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆82Updated this week
• deepanshs / mrsimulator
  A fast solid-state NMR spectrum simulation and analysis library.
  ☆39Updated 2 weeks ago
• Eigenstate / vmd-python
  Installable VMD as a python module
  ☆142Updated last month
• nzhagen / jcamp
  A set of Python utilities for reading JCAMP-DX files.
  ☆53Updated 6 months ago
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆166Updated last year
• MDAnalysis / pytng
  Python bindings for TNG file format
  ☆13Updated 8 months ago
• MolSSI-BSE / basis_set_exchange
  A repository for quantum chemistry basis sets
  ☆179Updated this week
• vincefn / objcryst
  Free Objects for Crystallography : Fox / ObjCryst++
  ☆23Updated last week
• nutjunkie / IQmol
  IQmol is an open source molecular editor and visualization package
  ☆102Updated 2 years ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated this week
• LoLab-MSM / PyBILT
  Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
  ☆25Updated 4 years ago
• chrisjsewell / ipymd
  Analysis of Molecular Dynamics output in the IPython Notebook
  ☆10Updated 8 years ago
• orbkit / orbkit
  A Toolbox for Post-Processing Quantum Chemical Wavefunction Data
  ☆97Updated 4 years ago
• p-j-smith / lipyphilic
  A Python toolkit for the analyis of lipid membrane simulations
  ☆31Updated last month
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆32Updated 11 months ago
• theochem / iodata
  Python library for reading, writing, and converting computational chemistry file formats and generating input files.
  ☆138Updated last month
• GrossfieldLab / loos
  LOOS: a lightweight object-oriented structure analysis library
  ☆125Updated 3 months ago
• MaginnGroup / Cassandra
  Cassandra is a Monte Carlo package to conduct atomistic simulations.
  ☆45Updated last year
• bjheinen / LiquidDiffract
  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
  ☆20Updated last month