Fluently move between three different perspectives on a collection of molecules: tidy data, specialized chemistry packages, and machine learning datasets.
The name is meant to suggest three witches around a cauldron, such as the ones from Macbeth. One witch is a machine learning engineer, one is a cheminformaticist, and one is a statistician. They are all concerned with the same molecules, contained within the cauldron. However, since the cauldron is actually a computer, it is a "cauldronoid", just as a mechanical human is an "android".