Ultimately, four of these candidates were tested for prototype OLED devices, out of which two exhibited the desired TADF behavior. Further applications of ML-assisted screening can be taken from reviews in the fields of organic materials discovery, drug design and catalyst design. While data scientific methods can provide assistance in several tasks of computational chemistry, a proper integration of all individual steps of a project (i.e. data generation, ML training and prediction) is not straightforward to achieve. Since available programs either focus on the ML or chemistry part, it requires expert knowledge in both to set up a proper protocol that combines all tasks. While there exist commercial services and program suites 9,10 that offer solutions to this, these are typically of closed-source nature and can therefore not be reproduced without access to a license. As an alternative, several open-source ML programs, models and tools have been published, as recently highlighted in a perspective article. However, such free models still need to be properly embedded into the workflow of any new project, which requires a relatively high level of programming experience.