TTClust: A Versatile Molecular Simulation Trajectory Clustering Program with Graphical Summaries.
Thibault TubianaJean-Charles CarvailloYves BoulardStéphane BressanelliPublished in: J. Chem. Inf. Model. (2018)
Keyphrases
- clustering algorithm
- clustering method
- k means
- molecular dynamics
- hierarchical clustering
- unsupervised learning
- information theoretic
- anomaly detection
- molecular dynamics simulations
- categorical data
- self organizing maps
- control system
- cluster analysis
- numerical simulations
- document clustering
- spatio temporal
- fuzzy clustering
- simulation model
- pairwise
- computer programs
- simulation models
- trajectory data
- drug discovery
- gene expression analysis
- three dimensional
- neural network