, where 𝐹 ̅ 𝑖,𝛼 and 𝐹 𝑖,𝛼 represent the predicted and true α-component of the force on atom i, respectively. The uncertainty in the force predictions is estimated by calculating the standard deviation σ across the models, as we are primarily concerned with the uncertainty in the force components for molecular dynamics simulations. This uncertainty σ is computed as