Powerful, efficient particle trajectory analysis in scientific Python.
☆328Aug 31, 2026Updated this week
Alternatives and similar repositories for freud
Users that are interested in freud are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆445Updated this week
- Workflow management for signac-managed data spaces.☆49Jul 9, 2026Updated last month
- Manage large and heterogeneous data spaces on the file system.☆147Aug 11, 2026Updated 3 weeks ago
- Read and write GSD files for use with HOOMD-blue.☆31Updated this week
- Collection of tools to help initialize and manipulate geometries in two and three dimensions.☆25Jul 29, 2026Updated last month
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Flexible storage of chemical topology for molecular simulation☆73Updated this week
- Rapidly visualize signac projects through a customizable dashboard interface.☆16Jul 29, 2026Updated last month
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆103Jun 12, 2026Updated 2 months ago
- An open-source Python package for creating fast and accurate interatomic potentials.☆361Jul 7, 2026Updated last month
- Sample molecular simulation workflows using a MoSDeF and community tools☆17Jul 19, 2022Updated 4 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆148Aug 24, 2026Updated last week
- MDAnalysis is a Python library to analyze molecular dynamics simulations.☆1,638Aug 18, 2026Updated 2 weeks ago
- Development version of plumed 2☆518Updated this week
- HOOMD-blue example scripts.☆39Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆474Apr 18, 2026Updated 4 months ago
- Physical validation of molecular simulations☆65Jul 6, 2026Updated last month
- Monte Carlo and Molecular dynamics soft matter simulations in Rust.☆18Updated this week
- SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit☆15Dec 17, 2024Updated last year
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆466Jul 27, 2026Updated last month
- Publication quality path tracing in real time.☆128Updated this week
- A hierarchical, component based molecule builder☆222Updated this week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆158Jun 27, 2024Updated 2 years ago
- libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io☆400Aug 22, 2026Updated last week
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- An open library for the analysis of molecular dynamics trajectories☆729Aug 19, 2026Updated 2 weeks ago
- Packmol - Initial configurations for molecular dynamics simulations☆377May 27, 2026Updated 3 months ago
- A Python library and command line interface for automated free energy calculations☆94Aug 8, 2026Updated 3 weeks ago
- A scalable and versatile library to generate representations for atomic-scale learning☆83Jan 11, 2024Updated 2 years ago
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆36Dec 8, 2022Updated 3 years ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆29Aug 24, 2026Updated last week
- python simulation interface for molecular modeling☆108Jun 26, 2022Updated 4 years ago
- Differentiable, Hardware Accelerated, Molecular Dynamics☆1,458Aug 18, 2026Updated 2 weeks ago
- JAX-ReaxFF: A Gradient Based Framework for Extremely Fast Optimization of Reactive Force Fields☆84Sep 23, 2024Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- An interactive structure viewer alongside its simulated diffraction pattern☆19Aug 17, 2026Updated 2 weeks ago
- A VMD molfile plugin reader for HOOMD-blue GSD files.☆21Jul 6, 2026Updated last month
- A lightweight package with the periodic table of the elements☆12Apr 1, 2021Updated 5 years ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆189Oct 17, 2025Updated 10 months ago
- Public development project of the LAMMPS MD software package☆3,039Updated this week
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆32Sep 28, 2020Updated 5 years ago
- Compute neighbor lists for atomistic systems☆85Aug 7, 2026Updated 3 weeks ago