Search Results for "monte carlo simulation" - Page 2

...VarData) manipulate a structure of points connected by links. Addraw) openGL engine. ElPoly) analyze mechanical properties of polymer and membrane like structures. Addyn) perform molecular dynamics and Monte Carlo simulations and has a solver for 4th oder PDE. Avvis) perform all the operation of Matematica on different sets of data visualized on a Qt graphical interface. DrImage) image manipulation on the Matematica filters. The program is intended to use as less as possible external libs (optional: openGL, gsl, fftw, cgal, png, tiff, boost, MPI, Qt...).

PyKMC is a work in progress on-the-fly kinetic Monte Carlo package. It currently allows for automatic defect-decomposition, lattice minimisation, NEB and String saddle point calculations and RAT transition searches - using LAMMPS or LBOMD.

SMMP (Simple Molecular Mechanics for Proteins) is a program library for protein simulations with an emphasis on advanced Monte Carlo algorithms. It includes various force fields to calculate the energy of a protein and protein-protein interactions.

Portfolio Optimizer Software. Automatically calculates the best asset combination for a given portfolio, expected return, risk and Sharpe ratio. Performs Monte Carlo simulation of thousands of different portfolios.

QDeblend3D is a dedicated software tool for the deblending of QSO and host galaxy emission in 3D datacubes obtained with optical IFU spectrographs. The GUI allows to control the process and to visualize the results with an integrated cube viewer.

FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.

openMCL (Monte Carlo Localization) implements probabilistic method to determine the position of a robot on a map.

Use SASSIE to generate and manipulate large numbers of molecular structures and then calculate the SAXS, SANS, and neutron reflectivity profiles from atomistic structures. Use for intrinsically disordered proteins. We need alpha-testers and developers.

Quantum Monte Carlo algorithms expressed in Python. This code calculates electronic properties of atoms and molecules from first principles.

QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.

TAROT is a easy-to-use framework for Monte Carlo simulations in python. Calculations between different kinds of randomly distributed numbers are made as easy as basic arithmetics. Tarot provides an interactive graphical interface for interpretation.

MANIKK is a toolkit for generating numerical interaction parameters -- describing the interaction between metallic atoms in a coherent lattice -- and for performing numerical Monte Carlo-simulations of physical properties of alloy systems.

Markov chain Monte Carlo methods in Python, targeted to biometric applications.

KU1K is a set of tools for 4D,5D and 6D compact U(1) lattice gauge theory Monte Carlo simulation using the Skipis-Vantzos algorithm. As the calculations involved, even for the 4D case, are consuming, the project is modular so as to run on the Grid.

Ducking is a software who is providing simulation of probable docking between two proteins using rigid body monte carlo method. It is written in python and uses the libraries wxPython, VTK, SciPy and BioPython.