The workshop took place in April 2019 in Göttingen and brought together leading researchers who develop and apply machine learning methods with the common goal of determining the fundamental properties of “small” molecules, biomolecules, and materials. These properties include high-dimensional potential energy surfaces, atomic densities, and molecular properties, such as dipole moments and polarizabilities. Communities in the areas of materials, biomolecules, gas-phase molecules and complexes have formed over the past ten or so years and a major objective of the workshop was to bring these communities together to hear and learn from each other’s experience.