mirror of
https://github.com/openbabel/openbabel.git
synced 2026-08-04 10:23:18 -05:00
njzjz-bot (driven by OpenClaw (model: gpt-5.5))[bot]
669b34b853
Add a scikit-build-core Python package entry point for the in-tree Open Babel bindings and wire cibuildwheel to build release artifacts for Linux, macOS, and Windows. Keep regular CMake installs unchanged by only installing into the wheel package layout when BUILD_BY_PIP is enabled. Authored by OpenClaw (model: gpt-5.5)
Open Babel
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.
- Ready-to-use programs, and complete programmer's toolkit
- Read, write and convert over 90 chemical file formats
- Filter and search molecular files using SMARTS and other methods
- Generate 2D and 3D coordinates for SMILES, InChI and other formats
- Supports molecular modeling, cheminformatics, bioinformatics, organic chemistry, inorganic chemistry, solid-state materials, nuclear chemistry...
Open Babel is distributed under the GNU General Public License (GPL). This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License. Full details can be found in the file "COPYING" which should be included in your distribution.
For more information, check the Open Babel website.