RSS 2 projects tagged "computational chemistry"

Download No website Updated 13 Mar 2014 intrinsic Noise Analyzer

Screenshot
Pop 94.20
Vit 7.70

iNA is a computational tool for quantitative analysis of fluctuations in biochemical reaction networks. Such fluctuations, also known as intrinsic noise, arise due to the stochastic nature of chemical reactions and cannot be ignored for when some molecules are present only in very low copy numbers as is the case in living cells. The SBML-based software computes statistical measures such as means and standard deviations of concentrations within a given accuracy using the analytical system size expansion. The result of iNA’s analysis can be tested against the computationally much more expensive stochastic simulation algorithm.

Download Website Updated 24 Jul 2013 ccwatcher

Screenshot
Pop 48.04
Vit 8.21

ccwatcher monitors the progress of computational chemistry calculations as they run. It has both a GUI and a command line interface to which it parses important output and plots SCF energies. It supports most computational chemistry programs via cclib.

Screenshot

Project Spotlight

SCaVis

A scientific computation and visualization environment.

Screenshot

Project Spotlight

Mylene

A command line audio MPEG player.