TRAVIS - a free analyzer and visualizer for Monte Carlo and molecular dynamics trajectories.
Martin BrehmBarbara KirchnerPublished in: J. Cheminformatics (2012)
Keyphrases
- monte carlo
- molecular dynamics
- markov chain
- monte carlo simulation
- scientific data
- adaptive sampling
- monte carlo methods
- molecular dynamics simulations
- importance sampling
- moving objects
- high performance computing
- protein folding
- particle filter
- markovian decision
- monte carlo tree search
- matrix inversion
- machine learning
- fluid flow
- variance reduction
- message passing