SynKit
Graph-native reaction informatics and executable electron-flow models
SynKit is a Python toolkit for atom mapping, chemical graph transformations, reaction rules, stereochemistry, and chemical reaction networks. It also represents Lewis-labelled graphs and verifies user-supplied electron-flow mechanisms. It does not predict the kinetically or thermodynamically preferred mechanism.
Installation
Requires Python 3.11 or later.
python -m pip install synkit
See Getting Started for examples, optional dependencies, and Docker installation.
Documentation
Publications
- Lewis-labeled graphs: curly arrows and fishhooks as executable electron transfers, submitted (2026).
- SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis, Journal of Chemical Information and Modeling (2025).
Contributing
Contributions and bug reports are welcome. Create a branch from the current mainline, make a focused change, and run the repository checks before opening a pull request:
git switch -c feature/short-description
bash scripts/lint.sh
bash scripts/pytest.sh
Questions can be sent to tieu@bioinf.uni-leipzig.de.
Contributors
License
SynKit is distributed under the MIT License. See LICENSE.
Acknowledgments
This project received funding from the European Union’s Horizon Europe Doctoral Network programme under Marie Skłodowska-Curie grant agreement No. 101072930 (TACsy).
1 maintainer
Metadata
1 maintainer
Release files for synkit 1.6.3
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| synkit-1.6.3.tar.gz | 1.2 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| synkit-1.6.3-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 2.7 MB
Release files / synkit-1.6.3.tar.gz
| Download URL | synkit-1.6.3.tar.gz |
|---|---|
| Size | 1.2 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
d1359c41a66adee4451427f72dfe83bf3e5430d1622e6a071fbd9b54db371245
|
|
BLAKE2b-256 checksum How to use checksums |
d97c08866cad3b6503d8414e50da34921edde326c0ff0c2f3c5e3bd21632765f
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on Oct 12, 2026.
Transparency logRelease files / synkit-1.6.3-py3-none-any.whl
| Download URL | synkit-1.6.3-py3-none-any.whl |
|---|---|
| Size | 1.5 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
f3012376c3ac7b6d7c2ae906cd98345bfead5ddd1c0ddf4b398e24dc9d75731a
|
|
BLAKE2b-256 checksum How to use checksums |
724a8178614e469c8fd3e9d46d7cef9a5b4bd3839f7125602db5071803ddab3a
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on Oct 12, 2026.
Transparency log
