1 unstable release
0.1.0+rdkit-2022-09-1-pre | May 3, 2022 |
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#980 in Science
26 downloads per month
Used in rdkit-rs
3.5MB
86K
SLoC
RDKit bindings for Rust
Binding Progress
✅ RWMol, ROMol
✅ SmilesParse
✅ MorganFingerprint
✅ 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++
Dependencies
~0.6–1.3MB
~27K SLoC