  Automated and high-throughput quantum chemical investigations into chemical
processes have become feasible in great detail and broad scope. This results in
an increase in complexity of the tasks and in the amount of generated data. An
efficient and intuitive way for an operator to interact with these data and to
steer virtual experiments is required. Here, we introduce Heron, a graphical
user interface that allows for advanced human-machine interactions with quantum
chemical exploration campaigns into molecular structure and reactivity. Heron
offers access to interactive and automated explorations of chemical reactions
with standard electronic structure modules, haptic force feedback, microkinetic
modeling, and refinement of data by automated correlated calculations including
black-box complete active space calculations. It is tailored to the exploration
and analysis of vast chemical reaction networks. We show how interoperable
modules enable advanced workflows and pave the way for routine
low-entrance-barrier access to advanced modeling techniques.
