IBM SPSS Statistics From $79/mo 9.3 Visit partycls
jorisparet.com
Spec sheet
- Purpose
- partycls is a Python package for clustering systems of interacting particles by similar structural or dynamical properties.Read 12 Oct 2026 · jorisparet.com
- Deployment
- desktopRead 23 Sep 2026 · jorisparet.com
- Free plan
- YesRead 23 Sep 2026 · jorisparet.com
- Integrations
- The documentation names MDTraj and atooms as third-party packages for reading additional trajectory formats.Read 12 Oct 2026 · jorisparet.com
- Support
- The project invites users to report issues by email or through its repository issue tracker.Read 12 Oct 2026 · github.com
- License
- The project repository identifies its license as GPL-3.0.Read 12 Oct 2026 · github.com
- Maker
- The documentation copyright credits Joris Paret.Read 12 Oct 2026 · jorisparet.com
- Additional descriptors
- partycls supports additional structural descriptors through DScribe.Read 12 Oct 2026 · jorisparet.com
- Data import formats
- XYZ, LAMMPS dumpRead 23 Sep 2026 · jorisparet.com
- Dependencies
- The required dependencies listed are a Fortran compiler, NumPy, and scikit-learn.Read 12 Oct 2026 · jorisparet.com
- Descriptors
- Built-in structural descriptors include radial, tetrahedral, bond-angle, bond-orientational, compactness, and coordination descriptors.Read 12 Oct 2026 · jorisparet.com
- Documentation
- The project provides tutorials, detailed examples, and API documentation.Read 12 Oct 2026 · jorisparet.com
- Documentation and support
- The documentation provides Jupyter notebook tutorials, detailed examples, and an API reference.Read 12 Oct 2026 · jorisparet.com
- Installation
- The latest stable release can be installed from PyPI with pip install partycls.Read 12 Oct 2026 · jorisparet.com
- Machine learning
- It performs feature scaling, dimensionality reduction, and cluster analysis using scikit-learn and additional built-in algorithms.Read 12 Oct 2026 · jorisparet.com
- Operating systems
- The installation documentation says partycls currently supports Unix-based systems.Read 12 Oct 2026 · jorisparet.com
- 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.Read 12 Oct 2026 · jorisparet.com
- Scale limit
- The code is optimized for small and medium systems of around 10⁴ particles.Read 12 Oct 2026 · jorisparet.com
- Scientific citation
- The project asks users citing partycls in scientific publications to consider citing its 2021 Journal of Open Source Software article.Read 12 Oct 2026 · jorisparet.com
- Scripting support
- YesRead 23 Sep 2026 · jorisparet.com
- Structural features
- Built-in descriptors include radial, tetrahedral, bond-angle, bond-orientational, compactness, and coordination descriptors.Read 12 Oct 2026 · jorisparet.com
- System size
- The package is currently optimized for small and medium systems of about 10^4 particles.Read 12 Oct 2026 · jorisparet.com
- Trajectory formats
- It reads several trajectory formats, including custom formats, through its built-in reader or third-party packages.Read 12 Oct 2026 · jorisparet.com
- Trajectory input
- It reads several trajectory formats, including custom formats, through its built-in reader or packages such as MDTraj and atooms.Read 12 Oct 2026 · jorisparet.com
- Use case
- The package supports condensed matter physics applications, including structural analysis of disordered or partially ordered materials.Read 12 Oct 2026 · jorisparet.com
- Visualization
- Optional visualization packages listed include Matplotlib, OVITO below version 3.7.0, and Py3DMol.Read 12 Oct 2026 · jorisparet.com
Where Specifiction places it
- Statistical Analysis Software#98 of 1067.0
