Alternatives and similar repositories for freud

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

• glotzerlab / hoomd-blue
  Molecular dynamics and Monte Carlo soft matter simulation on GPUs.
  ☆376Updated this week
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆209Updated last month
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆363Updated this week
• SINGROUP / dscribe
  DScribe is a python package for creating machine learning descriptors for atomistic systems.
  ☆434Updated 5 months ago
• psi4 / psi4numpy
  Combining Psi4 and Numpy for education and development.
  ☆367Updated last year
• pyiron / pyiron
  pyiron - an integrated development environment (IDE) for computational materials science.
  ☆405Updated 2 weeks ago
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆362Updated 3 weeks ago
• mir-group / flare
  An open-source Python package for creating fast and accurate interatomic potentials.
  ☆325Updated last week
• i-pi / i-pi
  i-PI: a universal force engine
  ☆260Updated last week
• jewettaij / moltemplate
  A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
  ☆287Updated 2 months ago
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆236Updated 2 months ago
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆184Updated last week
• spglib / spglib
  C library for finding and handling crystal symmetries
  ☆317Updated last week
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆167Updated last week
• Allen-Tildesley / examples
  Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…
  ☆316Updated 2 weeks ago
• materialsvirtuallab / maml
  Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
  ☆413Updated this week
• mosdef-hub / mbuild
  A hierarchical, component based molecule builder
  ☆192Updated last week
• hackingmaterials / atomate
  atomate is a powerful software for computational materials science and contains pre-built workflows.
  ☆254Updated 10 months ago
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆315Updated this week
• ipudu / awesome-molecular-dynamics
  A curated list of awesome Molecular Dynamics libraries, tools and software.
  ☆115Updated 3 years ago
• glotzerlab / gsd
  Read and write GSD files for use with HOOMD-blue.
  ☆26Updated 2 weeks ago
• ReactionMechanismGenerator / RMG-Py
  Python version of the amazing Reaction Mechanism Generator (RMG).
  ☆446Updated this week
• openforcefield / openff-toolkit
  The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…
  ☆340Updated 2 weeks ago
• Colvars / colvars
  Collective variables library for molecular simulation and analysis programs
  ☆223Updated this week
• giacomomarchioro / PyEnergyDiagrams
  This is a simple script to plot energy profile diagrams using Python and matplotlib.
  ☆164Updated last year
• MolSSI / QCElemental
  Periodic table, physical constants, and molecule parsing for quantum chemistry.
  ☆162Updated 2 weeks ago
• cctbx / cctbx_project
  Computational Crystallography Toolbox
  ☆249Updated this week
• mosdef-hub / foyer
  A package for atom-typing as well as applying and disseminating forcefields
  ☆128Updated last week
• glotzerlab / signac-flow
  Workflow management for signac-managed data spaces.
  ☆47Updated 3 weeks ago
• chemfiles / chemfiles
  Library for reading and writing chemistry files
  ☆181Updated 2 weeks ago