Search Results for "equilibrium"
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Showing 23 open source projects for "equilibrium"
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BioEmu
Inference code for scalable emulation of protein equilibrium ensembles
Biomolecular Emulator (BioEmu for short) is a model that samples from the approximated equilibrium distribution of structures for a protein monomer, given its amino acid sequence. By default, unphysical structures (steric clashes or chain discontinuities) will be filtered out, so you will typically get fewer samples in the output than requested. The difference can be very large if your protein has large disordered regions, which are very likely to produce clashes. -
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Fachwerk calculates strut-and-tie models used by structural engineers for analysing and designing reinforced concrete structures. The program only uses the equilibrium conditions, thus it is not assuming elastic behaviour.
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ASALI
ASALI is an open-source code for chemical engineers
Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling chemical reactors has never been so easy. -
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Continuation Core and Toolboxes (COCO)
Toolboxes for parameter continuation and bifurcation analysis.
...Any opinions, findings, and conclusions or recommendations expressed on this site are those of the authors and do not necessarily reflect the views of the National Science Foundation or other funding sources. Documentation and tutorials are available for the following toolboxes: * ep : continuation and bifurcations of equilibrium points * coll : continuation of constrained collections of trajectory segments, including multi-segment boundary-value problems * po : continuation and bifurcations of periodic orbits in smooth and hybrid systems * recipes : collection of examples from the book Recipes for Continuation -
Ship Agents FasterGemini Enterprise Agent Platform lets you rapidly build, scale, govern and optimize production-ready agents grounded in your organization's data. The platform enables developers to build custom or pre-built agents for virtually any use case. New customers get $300 in free credits.
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matgts
programs for geotechnical engineering and mathematics
...mtfem - finite element analysis, 2D, plane strain state (C, SDL), GNU/Linux and Wind0ws executables present; mtpile - analysis of a laterally loaded pile (C, SDL); mtslope - slope stability and displacement analysis using limit equilibrium (C,SDL); jswall - analysis of a diaphragm wall (JavaScript); jsmath - mathematics: polynomial equations, linear systems of equations, eigenvalues, matrix multiplication, matrix inversion (JavaScript); mtwall - obsolete program for analysing a diaphragm wall (C, SDL). Some Javascript programs require at least Firefox 3 or 4, because of <canvas> and "use strict". -
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Column Rebar Optimization
EC2/EC8 longitudial rebar optimization in concrete columns
For given set of external load combinations it checks section integrity (mode 1). Also it does rebar optimization (mode 2). -
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RMGDFT
Real Space Multigrid based electronic structure code.
News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on... -
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eq-diagr
Chemical Equilibrium Diagrams
Create chemical equilibrium and predominance area diagrams easily -
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Numerics for Chemical Engineering
Numerical models for chemical and process engineering
NCE Calculation Framework is a library of routines, models and data applicable to chemical and process engineering calculations, written in Java. -- NEW -- www.chesolver.com *ONLINE CALCULATORS*. A set of solvers to perform calculations consistently on any device, from smart-phone to desktop. The project includes the following ready to use software all based on the same core library: * Online Calculators at www.chesolver.com * Extensions for Libreoffice/Openoffice Calc... -
MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
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KMC-KaiC
Kinetic Monte Carlo simulation of the in-vitro Kai Circadian clock
...The application of the code is described in our article titled "A Thermodynamically consistent model of the post-translational Kai circadian clock", which is freely available at the open access journal PLOS Computational Biology: https://doi.org/10.1371/journal.pcbi.1005415 *UPDATE* We made a fully reversible version of our model, including the inverse reactions for ATP hydrolysis. This makes it possible to run the model at thermodynamic equilibrium. This version of the model can be downloaded under KMC_KaiC_Rev.zip. If you like to use our model for your own research, please cite our PLoS Computational Biology paper. -
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Fachwerk3D calculates three-dimensional strut-and-tie models used by structural engineers for analysing and designing reinforced concrete structures. The program only uses the equilibrium conditions, thus it is not assuming elastic behaviour.
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FFSM++
French Forest Sector Model
Given the importance of anthropogenic determinants in forest ecosystems within Europe, the objective of the FFSM++ model is to link the evidence arising from biological models with socio-economic determinants, where the expected returns of forest investments represent the main drivers. An (inventory-based) forest dynamic model is hence coupled with a (partial equilibrium) market module and a (micro-based) management one in a national level forest sector model for France (FFSM++). The model is fully open source (GPL3) with the sole exception that if you publish some document based on a modified version of FFSM++ you need to publish also the modifications you made. -
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Elastic network models (ENMs) have been shown to generate the dominant functional equilibrium motions of biomolecules quickly and efficiently. MAVEN simplifies ENM generation, allows for diverse models to be used, and facilitates useful analyses.
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islec
ISL Solid-Liquid Equilibrium Calculator
ISL Equilibrium Calculator,which process solid-liquid equilibrium calculation by using Harvie extended Pitzer's ion interaction electrolyte solution model and particle swarm optimization Gibbs free energy minimization (GEM). ISLEC is an efficient tool for solid-liquid equilibrium calculation, and can simulate the crystallization path of seawater and salt lake brines. -
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Fachwerk3D calculates three-dimensional strut-and-tie models used by structural engineers for analysing and designing reinforced concrete structures. The program only uses the equilibrium conditions, thus it is not assuming elastic behaviour.
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16
Fachwerk calculates strut-and-tie models used by structural engineers for analysing and designing reinforced concrete structures. The program only uses the equilibrium conditions, thus it is not assuming elastic behaviour.
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17
Arena is a computer simulation in which programs compete for CPU time and access to main memory. Processes such as the dynamics of punctuated equilibrium, host-parasite co-evolution and density dependent natural selection are amenable to investigation.
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FeMOS is a finite element method simulation of Double Gate MOSFET. The calculation uses Non-equilibrium Green's function method in fast uncoupled mode space approach.
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Content Addressable Memory, Multi-Variate Statistics, Data Mining Includes analyzing datasets, extracting patterns, creating empirical expert system. Computes joint probabilities and implements a "belief" as the solution of an equilibrium equation
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JBendge - Bayesian Estimation of Nonlinear Dynamic General Equilibrium Models. The project provides a toolkit together with a graphical user interface for the specification, solution, estimation and simulation of models.
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Set of python scripts that can be used for the calculations of equilibrium fractionation factors from experiments and from statistical mechanics theory. python scripts use Scipy/Numpy/Matplotlib/WxPython for calculations, plotting and the GUI
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Numerical Resolution of the Inverse Problem for Chromatography using Evolutionary Algorithms and Adaptive Multiresolution. The goal is to identify the multicomponent equilibrium isotherm from experimental chromatograms.
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This program simulates the performance of the supersonic continuous wave chemical laser by solving 2D-system of Navier-Stokes equations in slender-jet approximation that includes multi-component diffusion, non-equilibrium chemical reactions and radiation
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