Scaling ======= A commonly used strategy in models of the PES is to scale the raw local energy predictions by some scale parameter (derived in a :meth:`graph_pes.GraphPropertyModel.pre_fit` step). This has the effect of allowing models to output ~unit normally distributed predictions (which is often an implicit assumption of e.g. NN components) before having these scaled to the natural scale of the labels in question. .. autoclass:: graph_pes.models.components.scaling.LocalEnergiesScaler :members: