moyopy

What it is and what it does

Moyopy wraps Moyo, a fast and robust crystal symmetry finder, into a Python interface for analyzing crystallographic structures. It identifies symmetry operations and space groups in crystal lattices, making it useful for materials science and computational chemistry workflows that need to understand or exploit crystal symmetries.

The package is in Beta status and actively maintained. It supports Python 3.10 through 3.14 with pre-built wheels for major platforms, keeping install friction moderate. Optional extras allow conversion of structures to Pymatgen or ASE formats for integration with broader materials-science pipelines.

Use it for:

• Identify space groups and symmetry operations in crystal structures for materials discovery workflows.
• Validate or normalize crystallographic data by detecting and applying symmetry constraints.
• Convert crystal structures to Pymatgen or ASE objects for downstream analysis or visualization.
• Accelerate high-throughput computational materials screening by leveraging fast symmetry detection.
• Analyze symmetry properties in computational chemistry simulations or density-functional-theory results.

Worth the install?

AI-flagged interpretation of the facts on this page — verify before relying

Moyopy is a Python binding for Moyo, a crystal symmetry finder that identifies and analyzes symmetry operations in crystalline structures.

Yes, if you work with crystal structures and need fast symmetry analysis. The package is actively maintained, permissively licensed, has no known vulnerabilities, and integrates well with popular materials-science libraries via optional extras. Medium install friction is typical for compiled scientific packages and not a barrier.

Install

moyopy on PyPI

pip install moyopy

uv add moyopy

poetry add moyopy

Installing moyopy

Before you install

Medium install friction due to compiled wheels; the package is actively maintained with a recent release (32 days old) and supports current Python versions (3.10–3.14). Requires only typing-extensions as a runtime dependency.

License in practice

Dual-licensed under MIT or Apache-2.0 (permissive), so you may use, modify, and distribute the package freely under either license's terms with minimal restrictions.

Quickstart

pip install moyopy

import moyopy
# moyopy provides crystal symmetry analysis via the Moyo engine

Requires Python 3.10 or later; pre-built wheels available for common platforms (x86_64, ARM64, macOS, Linux, Windows).

Verify before relying

• Specific API surface and symmetry-finding capabilities beyond the general description.
• Performance characteristics and typical use-case scale (e.g., unit cell sizes, structure complexity).
• Whether optional interface extras (pymatgen, ASE conversion) are production-ready or experimental.

Package facts

Evidence: moyopy-0.15.0-cp310-abi3-macosx_10_12_x86_64.whl; moyopy-0.15.0-cp310-abi3-macosx_11_0_arm64.whl; moyopy-0.15.0-cp310-abi3-manylinux_2_17_aarch64.manylinux2014_aarch64.whl; moyopy-0.15.0-cp310-abi3-manylinux_2_17_x86_64.manylinux2014_x86_64.whl; moyopy-0.15.0-cp310-abi3-win_amd64.whl

Tags

More Mathematics packages