Search Results for "clustering"

We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and...

...RamanToolSet offers the following functions for processing: - scaling spectra - offset spectra - cut spectra - averaging spectra - smoothing spectra - normalizing spectra - background subtraction - polynomial subtraction The following analytical tools have been implemented: - Principal Component Analysis (PCA) - Clustering analysis - Extended Multiplicative Signal Correction (EMSC) analysis The following mapping tools have been implemented: - Producing single spectra files from Renishaw, Witec and Horiba mapping files (.txt) - Mapping the single spectra so imported from Renishaw, Witec or Horiba files - PCA is performed over mapping spectra and PCA-Scores are mapped - ICA is performed over mapping spectra and ICA-coefficients are mapped - Clustering analysis is performed over mapping spectra and Clusters are mapped

...Now available in version 2.0: hyperbolic grid generation to create higher quality grids in a fraction of the time compared to elliptic grid generation. Elliptic grid generation is still available also. Smooth airfoil surface spacing is handled automatically with user-controlled clustering parameters. Also included is a visualizer written in Python with matplotlib.

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...

XDAQ is a software platform designed specifically for the development of distributed data acquisition systems. The development is carried out at CERN, the European Organization for Nuclear Research. Please visit http://xdaq.web.cern.ch

Multi-Partite Community Detection - community detection (aka graph clustering) in k-partite k-uniform hypergraphs

PPIV is a parallel software application used in Particle Image Velocimetry (PIV) analysis. The software will compute the vector field for one image pair or multiple image pairs. PPIV can run on a single desktop machine or in a cluster environment.

Software for clustering networks as described in "Information-theoretic approach to network modularity" (Phys. Rev. E 71, 046117 (2005); http://link.aps.org/abstract/PRE/v71/e046117).

In many parallel scientific applications the process of grid generation, decomposition, message passing, and performance measurements are of similar stucture. The projects intention is to develop a generic function library that will contain all these.

A generalized and flexible pipeline management software.