A user interface with GIN models for predicting the retention time of molecules was successfully deployed. With this app, a user can input a molecule in SMILES format and select a particular GIN model trained with task specific chromatography data. The application then provides predicted retention times for each molecule in addition to displaying associated metadata for experiments. The app also provides an option to select the conditions used to carry out the experiment, allowing for various conditions to be compared. As a final step, the Dash app is deployed internally, allowing experimentalists to utilize predictions by GIN models without coding expertise as a barrier for use, as shown in Figure .