Toward a suite of toolkit-agnostic utilities for the SMILES language.
The fine art of dealing with what isn't there.
Laying the foundation for a new cheminformatics toolkit.
Everything you ever wanted to know about tetrahedral stereo SMILES but were afraid to ask.
A critical look at the industry-standard approach to bonding, and an alternative.
A human- and machine readable blueprint for a popular cheminformatics language.
How to avoid a hydrogen assignment free-for-all when reading and writing molfiles.
Cataloging the essential behaviors of molecule-like objects.
Open Source Drug Discovery takes on COVID-19.
Yet another take on a promising, but flawed clinical study.
Thinking differently about an old problem.
Using graphs in machine learning.
A comprehensive tutorial with working demos.
Bridging the divide between reactions and molecules in cheminformatics.
A new library for applied graph theory.
Untangling one of SMILES' most misunderstood features.
Discussion and code examples for Rust's most popular graph library.
A deep dive for beginners into Rust's most important big idea.
Lots of potential, but not much in the way of cheminformatics libraries or community yet.
An attempt to define the essential behaviors of graph-like objects.
A proposal to clarify the language around hydrogen suppression.
The tools for deploying C code to Web browsers are rapidly evolving. It's now possible to compile complex libraries to WebAssembly with nothing but LLVM.
A recent proposal for clinical trial block chains exposes an all-too-common misconception.
A step-by-step approach to building WebAssembly from an existing C project.