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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.
A language and a compiler for the solution of differential equations (ODE). Both lumped and distributed variables (PDE) will be possible. The ability to solve DAEs is a long term goal. The compiler generates a Python program that does the computation.
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Differential-algebraic simulator in python. Process and control systems are modelled w/ bloc diagrams. It allows algebraic loops, has an automatic steady-state computation, detects singular systems, and uses variable time-step transient integration.
Simple Molecular Interaction Potential Generator in Python
Molecular Interaction Potential Generator
MIPGEN is a python program that will calculate Molecular Interaction Potential grids
over a given molecule, that could be either a protein or a small organic compound (drug).
The output will be a series of grids with DX format (*.dx) that the user will be able
to visualize using any Molecular visualization program like VMD, PyMol, Chimera...
For more information on dependencies and usage, please read the Documentation.
Users are welcome...
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.
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PCSIM is a tool for distributed simulation of heterogeneous networks composed of different model neurons and synapses. The development of PCSIM was supported by the FACETS EU project.
CDNsim is a GNU/LINUX simulation tool for CDNs, written in C++ (core) and python (GUI wizard). It models: redirection policies, cache policies, TCP/IP, batch simulations, statistics extraction and more. CDNsim is uses the OMNet++ library
OpenMie aims to solve electromagnetic scattering problems via the Mie method to provide a benchmark against which to test more general scattering codes. Complete field solutions are given for a number of practical geometries.
Henry is an interface for Taylor 1.4.3 package (A. Jorba & M. Zou) and was written for master thesis to compute N-body problems (in Poincare variables) and MEGNO stability factor. Work is supported by Krzysztof Gozdziewski.
The Model Interaction Environment for Neuroscience provides tools for development, searching, editing, execution, and visualization of biophysical models, abstract mathematical models, and experimental protocols used in neuroscience research.
This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanish
The Automatic Model Optimization Reference Implementation, AMORI, is a framework that integrates the modelling and the optimization processes by providing a plug-in interface for both. A genetic algorithm and Markov simulations are currently 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.