# freud: A Software Suite for High Throughput Analysis of Particle Simulation Data

arXiv: https://arxiv.org/abs/1906.06317 · HTML: https://mlsanity.com/paper/1906.06317/

## Key facts

- Cited by 6 papers in the map (data through 14 Oct 2026).
- First posted on arXiv 14 Jun 2019.

## Built on by (most cited first, 6 of 6)

- [Geometric Algebra Attention Networks for Small Point Clouds](https://mlsanity.com/paper/2110.02393/) (2021)
- [Neural Schr"odinger Bridge with Sinkhorn Losses: Application to Data-driven Minimum Effort Control of Colloidal Self-assembly](https://mlsanity.com/paper/2307.14442/) (2023)
- [What Do Deep Neural Networks Find in Disordered Structures of Glasses?](https://mlsanity.com/paper/2208.00349/) (2022)
- [ColPackAgent: Agent-Skill-Guided Hard-Particle Monte Carlo Workflows for Colloidal Packing](https://mlsanity.com/paper/2605.15625/) (2026)
- [Classification of complex local environments in systems of particle shapes through shape-symmetry encoded data augmentation](https://mlsanity.com/paper/2312.11822/) (2023)
- [CBR -- Boosting Adaptive Classification By Retrieval of Encrypted Network Traffic with Out-of-distribution](https://mlsanity.com/paper/2403.11206/) (2024)

## Abstract (arXiv)

The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on laptops, workstations, and supercomputing clusters. The package provides the core tools for finding particle neighbors in periodic systems, and offers a uniform API to a wide variety of methods implemented using these tools. As such, freud users can access standard methods such as the radial distribution function as well as newer, more specialized methods such as the potential of mean force and torque and local crystal environment analysis with equal ease. While many comparable tools place a heavy emphasis on reading and operating on trajectory file formats, freud instead accepts numerical arrays of data directly as inputs. By remaining agnostic to its data source, freud is suitable for analyzing any coarse-grained particle simulation, regardless of the original data representation or simulation method. When used for on-the-fly analysis in conjunction with scriptable simulation software such as HOOMD-blue, freud enables smart simulations that adapt to the current state of the system, allowing users to study phenomena such as nucleation and growth.