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- partycls
On the recordRead 12 Oct 202626 facts
partycls
On the record
- Additional descriptors
- partycls supports additional structural descriptors through DScribe.jorisparet.com · read 12 Oct 2026
- Data import formats
- XYZ, LAMMPS dumpjorisparet.com · read 23 Sep 2026
- Dependencies
- The required dependencies listed are a Fortran compiler, NumPy, and scikit-learn.jorisparet.com · read 12 Oct 2026
- Deployment
- desktopjorisparet.com · read 23 Sep 2026
- Descriptors
- Built-in structural descriptors include radial, tetrahedral, bond-angle, bond-orientational, compactness, and coordination descriptors.jorisparet.com · read 12 Oct 2026
- Documentation
- The project provides tutorials, detailed examples, and API documentation.jorisparet.com · read 12 Oct 2026
- Documentation and support
- The documentation provides Jupyter notebook tutorials, detailed examples, and an API reference.jorisparet.com · read 12 Oct 2026
- Installation
- The latest stable release can be installed from PyPI with pip install partycls.jorisparet.com · read 12 Oct 2026
- Integrations
- The documentation names MDTraj and atooms as third-party packages for reading additional trajectory formats.jorisparet.com · read 12 Oct 2026
- License
- The project repository identifies its license as GPL-3.0.github.com · read 12 Oct 2026
- Machine learning
- It performs feature scaling, dimensionality reduction, and cluster analysis using scikit-learn and additional built-in algorithms.jorisparet.com · read 12 Oct 2026
- Maker
- The documentation copyright credits Joris Paret.jorisparet.com · read 12 Oct 2026
- Operating systems
- The installation documentation says partycls currently supports Unix-based systems.jorisparet.com · read 12 Oct 2026
- Purpose
- partycls is a Python package for clustering systems of interacting particles by similar structural or dynamical properties.jorisparet.com · read 12 Oct 2026
- Python versions
- The installation documentation says the package is compatible with Python 3.6 and higher and lists testing on versions 3.6 through 3.9.jorisparet.com · read 12 Oct 2026
- Scale limit
- The code is optimized for small and medium systems of around 10⁴ particles.jorisparet.com · read 12 Oct 2026
- Scientific citation
- The project asks users citing partycls in scientific publications to consider citing its 2021 Journal of Open Source Software article.jorisparet.com · read 12 Oct 2026
- Scripting support
- Yesjorisparet.com · read 23 Sep 2026
