Search Results for "computational chemistry software" - Page 4

ByoDyn (http://cbbl.imim.es/ByoDyn) is a software tool for the study of biochemical networks within the framework of systems biology. SBML compatible, ByoDyn is a group effort of the Computational Biochemistry and Biophysics Lab.

The Virtual Commons (http://commons.asu.edu) is an open software initiative devoted to computational experiments on collective action and resource governance and funded by Arizona State University's Center for Behavior, Institutions, and the Environment (http://cbie.asu.edu). NOTE: we've moved our development to GitHub at https://github.com/virtualcommons - please look for the latest versions there.

dmaControl is a DMA (differential mobility analyzer) control software for aerosol measurements.

This software can be used to calculate thermochemical and kinetic quantities like, enthalpy, entropy, heat capacity and transition state theory rate constants from spectroscopic/quantum data.

A univariate and multivariate analysis UI. This project is no longer under development. Please use as you wish.

TheoChemPy is a python library providing common functionalities for Theoretical and Computational chemists.

Tandem mass spectral peptide identification and validation software, similar to X!Tandem, OMSSA, MyriMatch. Suitable for single hosts through large clusters. Written in Python for simplicity, with performance-critical sections in C++.

easy to use sepctrography software. allow to display spectrography curves, and to overlay severals curves. you can create firste or second derivatives from the curves, or place marks to identify peaks. finals drawings can be saved as png or pdf files.

This is the first force-matching software published with the ability to do general coarse-graining for molecular systems.

Crow - Computational Representation Of Whatever. A platform for the integration and mining of complex and distributed data. Represents cross-linked semantic web documents as a network of software objects and offers easy ways to filter, and sort them.

Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.

Frowns is a chemoinformatics system written almost entirely in python.

Modama is a new software project for processing and analysing 2d detector data (images) provided by any available detectors, mainly SAX and WAX.

ExpLab is a set of tools that supports the running, documentation and evaluation of computational experiments.

SuperG is a code library written in Python intended to quickly enable programmers in a scientific environment to manage data files created by dispersed scientific instrumentation.

Software package for stochastic and hybrid simulation of microtubule dynamics and the effects of anti-mitotic drugs and microtubule regulatory proteins.

PyAero is a toolkit developped at andheo for CFD software : post-processing, curve generation, … Currently PyAero focuses on ONERA's code "Cedre". PyAero is powered by Qt, Python, PySide, enthought and pyLot.