Formation Energy

Formation Energy refers to the energy released or absorbed when a material is formed under specific conditions, which is an important parameter for evaluating the stability and reactivity of materials. In the QM9 dataset, the goal of this task is to predict the U0 value of molecules, using a chemical accuracy benchmark of 0.043 eV, to calculate the mean absolute error between the predicted and actual values. This task is of significant application value for understanding the relationship between molecular structure and properties, and optimizing the design of new materials.