A free, open-source computational tool designed to help scientists understand how molecules interact, bind, and react. Equilibrist addresses this challenge by integrating multiple analytical capabilities into a single, user-friendly platform. The software allows scientists to analyze chemical equilibria and reaction kinetics using experimental data from UV–visible absorption, fluorescence, NMR spectroscopy, and concentration measurements. It supports complex chemical systems involving multiple interacting molecular species and competing reactions. A particularly important contribution is the platform's emphasis on scientific reliability. Rather than simply producing numerical results that fit experimental measurements, Equilibrist incorporates advanced statistical tools to evaluate whether a proposed chemical model is appropriate, how confidently its parameters can be determined, and how experimental uncertainties affect the conclusions. These capabilities help researchers distinguish meaningful chemical behavior from apparent patterns that may arise from insufficient data or uncertain model parameters. The software also promotes transparency and reproducibility. Researchers can export their analyses, including experimental inputs, fitted parameters, and statistical diagnostics, allowing others to independently examine and reproduce the results. Its open-source design and browser-based interface, running locally on a computer, reduce barriers to adoption by laboratories and educational institutions.
