On easy implementation of a variant of the replica exchange with solute tempering in GROMACS.
Tsuyoshi TerakawaTomoshi KamedaShoji TakadaPublished in: J. Comput. Chem. (2011)
Keyphrases
- easy implementation
- bayesian inference
- restricted boltzmann machine
- markov chain monte carlo
- particle swarm optimisation
- probabilistic model
- hyperparameters
- prior information
- generative model
- deep learning
- information retrieval
- markov chain
- pso algorithm
- posterior distribution
- posterior probability
- probabilistic graphical models
- conditional random fields
- learning algorithm
- neural network