Search Results for "clustering"

...Built-in monitoring tracks CPU, RAM, and disk usage to ensure stable performance during parallel processing. Beyond simulation execution, it includes advanced trajectory processing and analysis tools such as RMSD, RMSF, SASA, clustering, PCA, hydrogen-bond analysis, Ramachandran plots, and FEL mapping. With integrated visualization and plotting utilities, it offers a unified platform for researchers, educators, and students to perform complete MD workflows efficiently and reproducibly. Our Goal is to bring MD simulations to every biologist's toolkit.

Condor GUI is a tool for managing and working with one or more HTCondor pools. It was developed at the Otto von Guericke University Magdeburg, Germany, to support the daily work using HTCondor. Version History: Version 0.9.3: - QDarkStyleSheet is an optional package now Version 0.9.2: - New layout of job file editor - Keyword arguments in job file editor - Linux compatibility

This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. The...

GridSim allows modeling and simulation of entities in parallel and distributed computing systems such as users, applications, resources, and resource brokers/schedulers for design and evaluation of scheduling algorithms. http://www.gridbus.org/gridsim

Java package to study a clustering model described in the paper \"Novel Clustering Algorithm Based Upon Games on Evolving Network\" by Q. Li, Z. Chen, Y. He and J-P. Jiang (in arxiv: http://arxiv.org/pdf/0812.5064v1), generalizations and similar issues.

CHAC is a MATLAB toolbox for statistical downscaling.

This project aims to modify Parallel Virtual Machine (PVM) to use benefits of RDMA-capable network interconnects, commonly used in HPC clusters.