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...

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

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).