RDKit bindings for Rust
Binding Progress
:white_check_mark: RWMol, ROMol
:white_check_mark: SmilesParse
:white_check_mark: MorganFingerprint
:white_check_mark: FMCS
Testing
- Currently tested on Mac OS X
Prerequisites
- Install dependency of boost:
conda install -c conda-forge boost
References
- A new way to use the RDKit from other languages
- Test cases from Getting Started with the RDKit in Python
- Code structure follows libcurl bindings for Rust
- Rust <-> C++ relies on CXX — safe interop between Rust and C++