glotzerlab / freud
Powerful, efficient particle trajectory analysis in scientific Python.
☆292Updated last week
Alternatives and similar repositories for freud:
Users that are interested in freud are comparing it to the libraries listed below
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆372Updated this week
- Materials science with Python at the atomic-scale☆206Updated this week
- DFTB+ general package for performing fast atomistic simulations☆358Updated 3 weeks ago
- Computational Crystallography Toolbox☆246Updated this week
- pyiron - an integrated development environment (IDE) for computational materials science.☆400Updated last week
- An open-source Python package for creating fast and accurate interatomic potentials.☆321Updated last month
- Combining Psi4 and Numpy for education and development.☆364Updated last year
- Manage large and heterogeneous data spaces on the file system.☆132Updated this week
- Generally Applicable Atomic-Charge Dependent London Dispersion Correction☆181Updated this week
- C library for finding and handling crystal symmetries☆315Updated last week
- Read and write GSD files for use with HOOMD-blue.☆26Updated last week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆252Updated 9 months ago
- A hierarchical, component based molecule builder☆192Updated this week
- A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies☆284Updated last month
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆431Updated 4 months ago
- A code to generate atomic structure with symmetry☆310Updated this week
- Software for generating machine-learning interatomic potentials for LAMMPS☆164Updated 3 weeks ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆360Updated 2 weeks ago
- Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…☆315Updated 8 months ago
- i-PI: a universal force engine☆257Updated this week
- A curated list of awesome Molecular Dynamics libraries, tools and software.☆115Updated 3 years ago
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆163Updated 2 weeks ago
- Collective variables library for molecular simulation and analysis programs☆222Updated this week
- A package for atom-typing as well as applying and disseminating forcefields☆128Updated this week
- Workflow management for signac-managed data spaces.☆47Updated this week
- ab initio Transmission Electron Microscopy☆237Updated last week
- Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website.☆169Updated last month
- Software Suite for Advanced General Ensemble Simulations☆87Updated 2 years ago
- Deep learning meets molecular dynamics.☆178Updated 6 years ago
- This is a simple script to plot energy profile diagrams using Python and matplotlib.☆159Updated last year