About
chematic is an open-source project maintained on GitHub. It has no company, formal legal entity, or registered address. The public repository, its contributors, and the packages published from it are the project.
License
chematic is dual-licensed under MIT OR Apache-2.0, at your option. The full license texts (LICENSE-MIT and LICENSE-APACHE) live in the root of the repository.
View the repository on GitHub →
Citation
If you use chematic in published work, a citation file is maintained in the repository. It includes author and version metadata in the standard Citation File Format, which GitHub renders as a ready-to-copy APA or BibTeX entry.
Project status
Current release: v1.1.7 (published 2026-10-17). See CHANGELOG.md for release history and Validation for what's stable, partial, or experimental.
What changed in v1.1.3
v1.1.3 adds charge-conserving EEM partial charges, allene and cumulene axial stereochemistry, V3000 enhanced-stereo collections, bounded-memory SDF datasets, and reusable Python force-field objects.
It also adds an opt-in ETKDGv3 path and keeps 3D explicitly experimental. The release notes distinguish shipped APIs from source-candidate comparison results; published-package reruns remain the basis for release-level performance claims.