Graph-theoretic fragment generation
Project description
Fragmentation-nx
Graph-theoretic fragment generation with weight calculation, given a set of nodes. The algorithms are implemented in Rust, and a Python binding is provided through PyO3.
Install
pip install fragmentation-nx
Check out example usage in example.py.
Compile and install from source
Install the build dependencies: Rust and maturin
make dev
Build Python wheels and release to PyPI
GitHub Action automate build and distribution for all supported Python versions. See .github/workflows/build-release.yml.
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