Metadynamics is a state of the art biomolecular simulation technique.
  'Plumed' Tribello, G.A. et al. (2014) <doi:10.1016/j.cpc.2013.09.018> program makes
  it possible to perform metadynamics using various simulation codes. The results of
  metadynamics done in 'Plumed' can be analyzed by 'metadynminer'. The package
  'metadynminer' reads 1D and 2D metadynamics hills files from 'Plumed' package.
  It uses a fast algorithm by Hosek, P. and Spiwok, V. (2016) <doi:10.1016/j.cpc.2015.08.037>
  to calculate a free energy surface from hills. Minima can be located and plotted on
  the free energy surface. Transition states can be analyzed by Nudged Elastic Band
  method by Henkelman, G. and Jonsson, H. (2000) <doi:10.1063/1.1323224>. Free energy
  surfaces, minima and transition paths can be plotted to produce publication quality
  images.

Metadynamics is a state of the art biomolecular simulation technique.
  'Plumed' Tribello, G.A. et al. (2014) <doi:10.1016/j.cpc.2013.09.018> program makes
  it possible to perform metadynamics using various simulation codes. The results of
  metadynamics done in 'Plumed' can be analyzed by 'metadynminer'. The package
  'metadynminer' reads 1D and 2D metadynamics hills files from 'Plumed' package.
  As an addendum, 'metadynaminer3d' is used to visualize 3D hills. It uses
  a fast algorithm by Hosek, P. and Spiwok, V. (2016) <doi:10.1016/j.cpc.2015.08.037>
  to calculate a free energy surface from hills. Minima can be located and plotted on
  the free energy surface. Free energy surfaces and minima can be plotted to produce
  publication quality images.

Extends the base classes and methods of 'caret' package for integration of base learners. The user can input the number of different base learners, and specify the final learner, along with the train-validation-test data partition split ratio. The predictions on the unseen new data is the resultant of the ensemble meta-learning <https://machinelearningmastery.com/stacking-ensemble-machine-learning-with-python/> of the heterogeneous learners aimed to reduce the generalization error in the predictive models. It significantly lowers the barrier for the practitioners to apply heterogeneous ensemble learning techniques in an amateur fashion to their everyday predictive problems.