Metadata-Version: 2.5
Name: cheminfer
Version: 0.0.1
Summary: Chemical perception and chemical-state inference from molecular and periodic atomic geometries.
Project-URL: Homepage, https://github.com/DeloneCommons/cheminfer
Project-URL: Repository, https://github.com/DeloneCommons/cheminfer
Project-URL: Issues, https://github.com/DeloneCommons/cheminfer/issues
Author: Ivan Yu. Chernyshov
License-Expression: LGPL-3.0-or-later
License-File: LICENSE
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: 3.14
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Software Development :: Libraries
Requires-Python: >=3.10
Provides-Extra: test
Requires-Dist: pytest>=8; extra == 'test'
Description-Content-Type: text/markdown

# cheminfer

Chemical perception and chemical-state inference from molecular and periodic atomic geometries.

## Status

cheminfer is in an early pre-alpha stage.

Version 0.0.1 establishes the package namespace and currently provides only
minimal coordinate-validation functionality. The chemical-perception API and
scientific model are not yet defined.

## Intended scope

The planned scope includes inference of chemical connectivity and chemical
states from molecular and periodic atomic geometries, with future treatment of
relation and bond classification, bond orders, charges, periodic systems, and
ambiguous chemical interpretations. This is an intended direction, not a
stable API. See the [development plan](docs/development-plan.md) for the current
design context.

## License

cheminfer is licensed under the GNU Lesser General Public License v3 or later
(`LGPL-3.0-or-later`).
