glotzerlab / freudLinks
Powerful, efficient particle trajectory analysis in scientific Python.
☆314Updated last week
Alternatives and similar repositories for freud
Users that are interested in freud are comparing it to the libraries listed below
Sorting:
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆414Updated last week
- Materials science with Python at the atomic-scale☆228Updated last week
- Computational Crystallography Toolbox☆275Updated this week
- DFTB+ general package for performing fast atomistic simulations☆410Updated this week
- pyiron - an integrated development environment (IDE) for computational materials science.☆431Updated 3 months ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆377Updated this week
- Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…☆336Updated last week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆205Updated last week
- A hierarchical, component based molecule builder☆205Updated last week
- A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.☆271Updated last month
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆178Updated this week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Updated last year
- C library for finding and handling crystal symmetries☆349Updated 3 weeks ago
- Read and write GSD files for use with HOOMD-blue.☆27Updated last week
- A minimalistic atomic Density Functional Theory (DFT) code☆144Updated 3 weeks ago
- i-PI: a universal force engine☆284Updated last month
- Software for generating machine-learning interatomic potentials for LAMMPS☆179Updated 3 months ago
- A simple, robust and flexible just-in-time job management framework in Python.☆170Updated this week
- Combining Psi4 and Numpy for education and development.☆385Updated 2 years ago
- Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for th…☆70Updated 4 years ago
- The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are…☆252Updated 4 months ago
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆455Updated 3 months ago
- Parsers and algorithms for computational chemistry logfiles☆385Updated last week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆308Updated 2 months ago
- Manage large and heterogeneous data spaces on the file system.☆137Updated last week
- Workflow management for signac-managed data spaces.☆48Updated 5 months ago
- Python version of the amazing Reaction Mechanism Generator (RMG).☆495Updated this week
- A simulation package of phonon-phonon interaction related properties☆154Updated this week
- A code to generate atomic structure with symmetry☆353Updated this week
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆446Updated last week