component-contribution

Command line tools for generating the equilibrator compound database, running the component-contribution model, and generating a search index. Finally data is stored in a Quilt package.

Standard reaction Gibbs energy estimation for biochemical reactions.

Data models and logic that provide access to compounds, reactions, and a cache of such structures used by eQuilibrator.

Search for compounds and reactions, estimate reaction Gibbs energies, and adjust to pH and ionic strength.