Search Results for "enhanced monte carlo simulations"
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18 programs for "enhanced monte carlo simulations" with 1 filter applied:
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oxDNA
A code primarily aimed at DNA and RNA coarse-grained simulations
The oxDNA code has been moved to https://github.com/lorenzo-rovigatti/oxDNA, please go there for new releases. -
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CAMPARI
Software for molecular simulations and trajectory analysis
... and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. For more information and features, please refer to the project's homepage at http://campari.sourceforge.net/V5 -
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..., microtron, linear and scaling FFAG, multi-pass ERL, etc.) and optical systems (magnetic and electrostatic optical components and beam lines, time-of-flight and mass spectrometers, etc.). It includes built-in fitting procedures, with a wide variety of constraints. It includes synchrotron radiation Poynting vector tracking, synchrotron radiation energy loss, space charge modeling, several Monte Carlo procedures.
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Phaistos is a framework for all-atom Monte Carlo simulations of proteins. It incorporates several advanced probabilistic models of protein structure for conformational sampling, efficient move-algorithms and the OPLS and PROFASI forcefields.
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EDM Calibration Baseline Fitting
EDMFit is an adjustment tool to estimate EDM calibration parameters.
.... For uncertainties budgeting, EDMFit makes use of Monte-Carlo simulations and supports different distribution function: - Uniform distribution, - Triangular distribution and - Gaussian (normal) distribution. For refractive index determination, the application supports the following models: - Barrel and Sears (1939), - Edlen (1953, 1966), - Owens (1967), - IAG (1999) and - Ciddor (1996, 2002). The results of the adjustment are reported in a template-based and valid HTML5/CSS3 report. -
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ViennaWD
Classical and quantum semiconductor device simulation
The ViennaWD package provides a selection of simulation tools supporting classical and quantum approaches for semiconductor device simulation. -
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Muninn
A software package for estimating generalized ensemble weights in Mark
We have moved to GitHub: https://github.com/muninnorg/muninn As of July 2015 we have moved to GitHub. The SourceForge page will preserved, with the old releases. Muninn is a software package for estimating generalized ensemble weights in Markov chain Monte Carlo (MCMC) simulations. The method is full automated and makes use of the generalized multihistogram (GMH) equations for estimation the density of states [1]. The package is implemented in C++ and has a convenient interface. -
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RaTrav
mean first passage times and node occupancies calculations
.... Torchala, P. Chelminiak, M. Kurzynski and P. A. Bates, 'RaTrav: a tool for calculating mean first-passage times on biochemical networks', BMC Syst. Biol. 7, 130 (2013). M. Torchala, P. Chelminiak and P. A. Bates, 'Mean first-passage time calculations: comparison of the deterministic Hill's algorithm with Monte Carlo simulations', Eur. Phys. J. B 85, 116 (2012). -
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Tina's Random Number Generator Library (TRNG) is a state of the art C++ pseudo-random number generator library for sequential and parallel Monte Carlo simulations.
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MCS is a tool that exploits the Monte Carlo method and, with a complex algorithm based on the PERT (Program Evaluation and Review Technique), it estimates a project's time. MCS is a opensource project and it was devolped by Java Programming Language.
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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.
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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.
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Monte Carlo implementation for the "Mobile Charge Densities in Harmonic Oscillators" (MCDHO) Molecular Force Field for Numerical Simulations of Biological Systems
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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.
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Soft for ab initio and MD simulating of water system. Contains program for ICE: construct ice, specific monte-carlo simulation, proton rearrangement calculations; for PDB-water: calculate rotation energy profile, for Effective Fragment simulations.
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This project is intended to perform Monte-Carlo-Simulations to calculate small clusters (2 to 13 atoms) of the rare gas "argon".
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CHIMP aims to provide a complete suite of tools for the investigation and modeling of chemical systems. It currently is able to parse chemical reaction mechanisms and run kinetic Monte Carlo simulations on the reacting system.
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The Molecular Modeling Templates, MMT is a C++ class library for molecular simulation applications. MMT serves as a code basis that can be easily extended and modified to perform Monte Carlo and molecular dynamics simulations.
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