ChemFST

ChemFST is a high-performance chemical name search library using Finite State Transducers (FSTs) for efficient search and autocomplete of chemical compound names. The project provides both a native Rust library and Python bindings.

• Rust library: Fast, memory-efficient, and suitable for large-scale chemical name search and autocomplete.
• Python bindings: Easy integration with Python projects, powered by the same Rust core.

For detailed usage, API reference, and in-depth explanations, please see the ChemFST Documentation (mdBook).

Development

Project Structure

• src/ – Rust library source code
• python/ – Python bindings and packaging
• docs/ – Documentation (mdBook sources)
• tests/ – Integration and unit tests

Local Setup

Rust

1. Install Rust (1.56.0 or higher).
2. Clone the repository:

   git clone https://github.com/esrehmki/chemfst.git
   cd chemfst
   

3. Build the project:

   cargo build
   

4. Run tests:

   cargo test
   

Python

1. Requires Python 3.11 or higher.
2. Install maturin for building the Python bindings:

   pip install maturin
   

3. Build and install the Python package:

   cd python
   maturin develop
   

4. Run Python tests:

   pytest
   

Continuous Integration

• GitHub Actions workflows for both Rust and Python ensure cross-platform compatibility and code quality.
• See .github/workflows/ for workflow definitions.

Contributing

Contributions are welcome! To contribute:

1. Fork the repository.
2. Create a new branch:

   git checkout -b feature/your-feature-name
   

3. Make your changes and add tests.
4. Run all tests to ensure nothing is broken.
5. Commit and push your changes.
6. Open a Pull Request.

License

MIT License

For all usage instructions, API details, and advanced topics, please visit the ChemFST Documentation (mdBook).