Search Results for "open-shell" - Page 3
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Showing 1816 open source projects for "open-shell"
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PhysiCell
physics-based multicellular simulator
PhysiCell is a cross-platform C++ framework for large, physics-based multicellular simulations. -
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gVirtualXRay
Virtual X-Ray Imaging Library on GPU
gVirtualXRay is a C++ library to simulate X-ray imaging. It is based on the Beer-Lambert law to compute the absorption of light (i.e. photons) by 3D objects (here polygon meshes). It is implemented on the graphics processing unit (GPU) using the OpenGL Shading Language (GLSL). SimpleGVXR is a smaller library build on the top of gVirtualXRay. It provides wrappers to Python, R, Ruby, Tcl, C#, Java, and GNU Octave. -
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Simulation of ion beam irradiation
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The Mars Simulation Project is an open source Java project to create a simulation of future human settlement on the planet Mars. See https://github.com/mars-sim/mars-sim for the LATEST issues/wiki/code change
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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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Tellurium
Model, simulate, and analyze biochemical systems using one tool.
Tellurium (te.) is a Python environment supporting Spyder2 IDE and Jupyter Notebook aimed for large-scale systems and synthetic biology simulation. It combines a number of existing libraries, including libSBML, libRoadRunner (including libStruct), libAntimony, and is extensible via tePlugins. In addition other tools kits such as matplotlib and NumPy are used to provide additional analysis and plotting support. -
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SimulaBeta
A simulation program for insulin-glucose homeostasis.
SimulaBeta is a simulation program for insulin-glucose feedback control. It is based on a nonlinear MiMe-NoCoDI model. -
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LINE Solver
Queueing Theory Algorithms
LINE is an open-source software package to analyze queueing models via analytical methods and simulation. The solver is available for Java/Kotlin, MATLAB, and Python. LINE features algorithms for the solution of open queueing systems (e.g., M/M/1, M/M/k, M/G/1, ...), open and closed queueing networks, and layered queueing networks. Additional details are available on the project website: http://line-solver.sf.net. -
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http://loto.sourceforge.net/ hosts 4 projects of free software related to materials science and physics. They are loto, feram, compasses and xtalgrowth.
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CyberUnits
Class library for computational cybernetics
CyberUnits is a cross-platform class library for rapid development of high-performance computer simulations in life sciences. It supports modelling for biomedical cybernetics and systems biology with Object Pascal. -
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GNNPCSAFT Web App
Smart Thermodynamic Modeling with Graph Neural Networks
The GNNPCSAFT Web App is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. More info on github repository. -
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Zgoubi is a raytracing code. Since 1972 it pushes charged particles through accelerators and beam lines, by stepwise solution of Lorentz force equation - and their spins via Thomas-BMT differential equation. Zgoubi simulates beam dynamics and polarization in a variety of accelerators (storage ring, synchrotron, cyclotron, betatron, microtron, FFAG, multi-pass ERL, etc) and optical systems (beam lines, magnetic and electrostatic optical components, time-of-flight and mass...
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Eleana
Program for the analysis of spectroscopic data, in particular EPR(ESR)
Eleana is a program for manipulating, modifying and analyzing various spectroscopic data, in particular electron paramagnetic resonance spectra. It allows you to import data from Bruker spectrometers such as Elexsys or EMX and data from any ASCII file or imported from the clipboard. The program is under constant development, but already has many functions implemented for spectral analysis. Some of the basic functions include: baseline corrections, filtering, spectral clipping, integration /... -
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Virtual Motherboard
Plug&Play Hardware simulation over a virtual bus system.
The Virtual Motherboard provides a specification of a TCP/IP based system bus, a motherboard simulator implementing this specifaction, and a collection of reusable device simulators. It is the perfect start to build new custom hardware simulators. -
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GNNPCSAFT Chat
Chatbot with GNNPCSAFT
The GNNPCSAFT Chat is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, you can chat with LLM models (Gemini or Ollama) with GNNPCSAFT tools, allowing you to ask questions about the PC-SAFT parameters of various compounds, predict thermodynamic properties, and get insights into the... -
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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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ANUGA is a software implementation of a hydrodynamic model which is specifically designed to model wetting and drying processes. ANUGA is a joint development project between Geoscience Australia (GA) and the Australian National University (ANU). ANUGA is now being developed on github at https://github.com/anuga-community/anuga_core For information on ANUGA please go to http://anuga.anu.edu.au The ANUGA project is described on http://en.wikipedia.org/wiki/ANUGA_Hydro
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A Matlab/Octave toolbox to design, simulate, and analyze optical communication systems. Open-source, fast, user-friendly, and customizable, it includes cutting-edge solutions for modulation formats generation, performance estimation, optical fiber propagation. See more at https://optilux.sourceforge.io.
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GNNPCSAFT
Smart Thermodynamic Modeling with Graph Neural Networks
The GNNPCSAFT app is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. To install the GNNPCSAFT app, download the... -
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Statistics101 - Resampling Statistics
Use simulation to perform statistical analyses.
Statistics101 is an Integrated Development Environment (IDE) that uses a simple, powerful language called “Resampling Stats” to develop Monte Carlo programs to analyze and solve statistical problems. The original Resampling Stats language and computer program were developed by Dr. Julian Simon and Peter Bruce as a new way to teach Statistics to social science students. Of course, social science students aren't the only ones who can benefit. Anyone who wants to learn statistics will find that... -
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water_hammer_simulation
A Qt application for water hammer simulation.
With differents numerical methods this application simulate the water hammer phenomenon. -
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...Code is parallelized and runs on laptops, desktops and clusters. The code precision is adjustable, it is fast and uses little memory. CFIE is used for closed surfaces, and EFIE for open PEC surfaces. Can function on GMSH, GiD and ANSYS meshes.
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SimThyr
A simulation program for thyroid homeostasis.
SimThyr is a continuous simulation program for the human pituitary-thyroid feedback control system. Applications of this program cover research, including development of hypotheses, and education of students in biology and medicine, nurses and patients. -
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LabRPS
Random phenomena generator
This is an official mirror of LabRPS. Code and release files are primarily hosted on https://github.com/LabRPS/LabRPS and mirrored here LabRPS aims to be a tool for the numerical simulation of random phenomena such as stochastic wind velocity, seismic ground motion, sea surface ... etc. It can be in a wide range of uses around engineering, such as random vibration or vibration fatigue in mechanical engineering, buffeting analysis in bridge engineering.... LabRPS is mainly to assist... -
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octave-ocl
OpenCL support for GNU Octave
The Package is installable in GNU Octave and offers OpenCL support for parallelization of numerical computations. It is most effective for computations which are based on large vectors or n-dimensional arrays of numbers, and mostly (but not limited to) identical element-wise operations. The user can select which available OpenCL hardware and drivers are to be used. The Package offers new numeric data types with many built-in operations (e.g., overloaded operators). It is flexibly...
