Resources
Javier Pineda, PhD., presented on Cheminee at a Scientist Show And Tell: view the slides.
Rust is a systems programming language offering memory safety without garbage collection, an integrated build system and package manager (cargo), and a strong static type system. For cheminformatics this means:
- No GC pauses — consistent latency when searching millions of molecules
- Memory safety — no segfaults, no use-after-free, even when wrapping C++ libraries like RDKit
- Fearless concurrency — parallelize indexing and search across cores without data races
- Single binary deployment — ship a statically linked binary or Docker image with no runtime dependencies
Learn more about Rust in The Rust Programming Language.
| Repository | Description |
|---|---|
| rdkit-rs/rdkit | High-level Rust bindings for RDKit |
| rdkit-rs/cheminee | Chemical structure search engine |
| rdkit-rs/cheminee-ruby | Ruby client gem for the Cheminee API |
| rdkit-rs/cheminee-similarity-model | Neural network model for similarity search clustering |
| rdkit-rs/rdkit-rs.github.io | This website |
Please file an issue on GitHub for rdkit-rs, or here for Cheminee.