Model ===== This module is designed to include machine-learning models for interpolating energies and forces from either an atom-centered or image-centered fingerprint description. Model ----- .. automodule:: amp.model :members: :undoc-members: :show-inheritance: Neural Network -------------- .. automodule:: amp.model.neuralnetwork :members: :undoc-members: :show-inheritance: Tensorflow Neural Network ------------------------- A work in progress, this module `amp.model.tflow` uses Google's TensorFlow package to implement a neural network, which may provide GPU acceleration and other advantages. .. automodule:: amp.model.tflow :members: :undoc-members: :show-inheritance: