Alternatives and similar repositories for simpson:

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

• sametz / nmrsim
  A Python library for NMR simulation
  ☆23Updated last year
• 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
  ☆32Updated 11 months ago
• hauser-group / pyQChem
  A Python module for scripting with Q-Chem
  ☆14Updated 2 years ago
• MaginnGroup / Cassandra
  Cassandra is a Monte Carlo package to conduct atomistic simulations.
  ☆43Updated 8 months ago
• bjheinen / LiquidDiffract
  LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
  ☆19Updated 7 months ago
• diffpy / diffpy.structure
  Crystal structure container and parsers for structure formats.
  ☆35Updated 2 months ago
• MDAnalysis / panedr
  Reads Gromacs EDR file to populate a pandas dataframe
  ☆31Updated 2 months ago
• bio-phys / pydiffusion
  Analyse Rotational Diffusion Tensor from MD Simulations
  ☆16Updated 2 months ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆34Updated 2 weeks ago
• bio-phys / MDBenchmark
  Quickly generate, start and analyze benchmarks for molecular dynamics simulations.
  ☆77Updated 4 months ago
• NMRPy / nmrpy
  A Python module for processing NMR spectra.
  ☆21Updated this week
• mosdef-hub / mosdef-workflows
  Sample molecular simulation workflows using a MoSDeF and community tools
  ☆14Updated 2 years ago
• mosdef-hub / msibi
  A package for managing pair-potential derivation using MultiState Iterative Boltzmann Inversion (MS-IBI)
  ☆12Updated 5 months ago
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆29Updated last year
• jhenin / qwrap
  Fast PBC wrapping and unwrapping for VMD
  ☆23Updated last month
• chrisjsewell / ipymd
  Analysis of Molecular Dynamics output in the IPython Notebook
  ☆10Updated 7 years ago
• vincefn / objcryst
  Free Objects for Crystallography : Fox / ObjCryst++
  ☆23Updated 4 months ago
• FATSLiM / fatslim
  Main code repository for FATSLiM
  ☆21Updated 2 years ago
• ur-whitelab / hoomd-tf
  A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD
  ☆30Updated 5 months ago
• DanPorter / Dans_Diffraction
  Reads crystallographic cif files and simulates diffraction
  ☆58Updated 3 weeks ago
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆46Updated 6 months ago
• dspoel / Toy-MD
  Python code for learning Molecular Dynamics simulations
  ☆53Updated 4 years ago
• pdebuyl-lab / tidynamics
  A tiny package to compute the dynamics of stochastic and molecular simulations
  ☆27Updated last year
• deepanshs / mrsimulator
  A fast solid-state NMR spectrum simulation and analysis library.
  ☆36Updated 3 weeks ago
• patrickfuchs / buildH
  Build hydrogen atoms from united-atom molecular dynamics of lipids and calculate the order parameters.
  ☆14Updated 2 years ago
• LoLab-MSM / PyBILT
  Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.
  ☆24Updated 3 years ago
• SCM-NV / PLAMS
  Python Library for Automating Molecular Simulations
  ☆67Updated this week
• lab-cosmo / sketchmap
  Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular
  ☆46Updated 3 months ago
• shirtsgroup / physical_validation
  Physical validation of molecular simulations
  ☆56Updated 2 weeks ago