#include "MolecularMachineLearningModel.h"
#include <Utils/Geometry/AtomCollection.h>
#include <Utils/Math/MachineLearning/ChemicalRepresentations/AtomicForcesManager.h>
#include <Utils/Math/MachineLearning/ChemicalRepresentations/CoulombMatrix.h>
#include <Utils/Math/MachineLearning/CrossValidation.h>
#include <Utils/MolecularTrajectory.h>
#include <numeric>

Include dependency graph for MolecularMachineLearningModel.cpp:

Detailed Description

Copyright: This code is licensed under the 3-clause BSD license.
Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group.
See LICENSE.txt for details.