Rust and WebAssembly from Scratch: Hello World with Strings
Bare bones approach to two-way string passing - without wasm-bindgen.
Compiling Rust to WebAssembly: A Simple Example
A short, no-frills guide from blank project to running code.
Returning Rust Iterators
Some simple tricks go a long way when dealing with iterators as return values.
OxMol: Rust/Python Bindings for ChemCore
First steps toward bringing ChemCore to a Python interpreter near you.
Hydrogen Suppression in SMILES
On the differences - and similarities - between implicit and virtual hydrogens.
ChemCore: A Cheminformatics Toolkit for Rust
Design, implementation, and future prospects.
Let's Build a SMILES Parser in Rust
Toward a suite of toolkit-agnostic utilities for the SMILES language.
Cheminformatics in Rust: Implementing a Minimal Molecule API
Laying the foundation for a new cheminformatics toolkit.
Stereochemistry and Atom Parity in SMILES
Everything you ever wanted to know about tetrahedral stereo SMILES but were afraid to ask.
Multi-Atom Bonding in Cheminformatics
A critical look at the industry-standard approach to bonding, and an alternative.
SMILES Formal Grammar
A human- and machine readable blueprint for a popular cheminformatics language.
Hydrogen Suppression in Molfiles
How to avoid a hydrogen assignment free-for-all when reading and writing molfiles.
Compiling InChI to WebAssembly Part 2: From Molfile to InChI
A comprehensive tutorial with working demos.
Rethinking the Chemical Reaction as a Graph: Imaginary Transition Structures and Beyond
Bridging the divide between reactions and molecules in cheminformatics.
A Comprehensive Treatment of Aromaticity in the SMILES Language
Untangling one of SMILES' most misunderstood features.
Graphs in Rust: An Introduction to Petgraph
Discussion and code examples for Rust's most popular graph library.
Rust for Cheminformatics
Lots of potential, but not much in the way of cheminformatics libraries or community yet.