Search Results for "open-shell"
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Showing 331 open source projects for "open-shell"
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Amazon Braket Default Simulator
An implementation of a quantum simulator that you can run locally
The Amazon Braket Default Simulator is a Python open-source library that provides an implementation of a quantum simulator that you can run locally. You can use the simulator to test quantum tasks that you construct for the Amazon Braket SDK before you submit them to the Amazon Braket service for execution. You must have the Amazon Braket SDK installed to use the local simulator. Follow the instructions in the README for setup. -
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ROMM
A beautiful, powerful, self-hosted rom manager and player
ROMM is an Android productivity launcher replacement that focuses on giving users faster, easier access to apps, contacts, and information through intuitive gestures, smart search, and contextual suggestions. It reimagines the home screen with adaptive layouts, predictive app recommendations, and dynamic organization so that frequently used tools are always within reach. The launcher includes a powerful universal search that combs through installed apps, contacts, messages, and web results... -
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Brax
Massively parallel rigidbody physics simulation
Brax is a fast and fully differentiable physics engine for large-scale rigid body simulations, built on JAX. It is designed for research in reinforcement learning and robotics, enabling efficient simulations and gradient-based optimization. -
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DWSIM - Open Source Process Simulator
Simulate chemical processes using advanced thermodynamic models
DWSIM is an open source, CAPE-OPEN compliant chemical process simulator for Windows, Linux and macOS systems. Written in VB.NET and C#, DWSIM features a comprehensive set of unit operations, advanced thermodynamic models, support for reacting systems, petroleum characterization tools and a fully-featured graphical interface. DWSIM Pro is a commercial sibling of DWSIM built on top of open-source software. -
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NVIDIA Isaac Lab
Unified framework for robot learning built on NVIDIA Isaac Sim
Isaac Lab is an open-source modular robotics learning framework built atop Isaac Sim. It simplifies research workflows across reinforcement learning, imitation learning, and motion planning by offering robust, GPU-accelerated simulation with realistic sensor and physics fidelity—ideal for sim-to-real robot training. Compatible and optimized for use with Isaac Sim versions (e.g., Sim 5.0 and 4.5). -
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NVIDIA Isaac Sim
NVIDIA Isaac Sim is an open-source application on NVIDIA Omniverse
NVIDIA Isaac Sim is a high-fidelity robotics simulation platform built on NVIDIA Omniverse to develop, test, and validate AI-driven robots in physically accurate virtual environments. It supports a wide array of robotics formats (URDF, MJCF, CAD), includes GPU-accelerated physics, and features immersive RTX rendering and multisensory simulation. Realistic physics via GPU-accelerated engines and RTX ray tracing. Multi-sensor simulation (RGB-D cameras, Lidar, Radar, IMU, contact sensors).... -
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Newton
An open-source, GPU-accelerated physics simulation engine
Newton is a high-performance, GPU-accelerated physics simulation engine designed primarily for robotics research, machine learning, and advanced simulation workflows. Built on top of NVIDIA Warp, it leverages GPU parallelism to deliver scalable and efficient simulation environments that support rapid iteration and experimentation. The engine extends previous simulation frameworks by introducing differentiable physics capabilities, allowing it to integrate seamlessly with machine learning... -
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GNS3
An advanced network simulator to design and configure virtual networks
Build, Design and Test your network in a risk-free virtual environment and access the largest networking community to help. Whether you are studying for your first networking exam or building out a state-wide telecommunications network, GNS3 offers an easy way to design and build networks of any size without the need for hardware. -
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GMAT
General Mission Analysis Tool
The General Mission Analysis Tool (GMAT) is an open-source tool for space mission design and navigation. GMAT is developed by a team of NASA, private industry, and public and private contributors. The GMAT development team is pleased to announce the release of GMAT version R2026a. For a complete list of new features, compatibility changes, and bug fixes, see the R2026a Release Notes in the Users Guide. -
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A cross-platform, open-source, alternative to NIST REFPROP. Based on reference-accuracy equations of state and transport property correlations for refrigerants like Water, CO2, R134a, Nitrogen, Argon, Ammonia, Air, R404a, R410a, Propane and many others. A selection of secondary working fluid properties are also available. Can also make use of REFPROP when available.
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Simulation of Urban MObility
SUMO is a microscopic, multi-modal traffic simulation.
SUMO is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large networks. It allows for intermodal simulation including pedestrians and comes with a large set of tools for scenario creation. The code and the issue tracker can be found at https://github.com/eclipse-sumo/sumo/ The documentation can be found at https://sumo.dlr.de/docs/ -
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HEALPix
Data Analysis, Simulations and Visualization on the Sphere
Software for pixelization, hierarchical indexation, synthesis, analysis, and visualization of data on the sphere. Please acknowledge HEALPix by quoting the web page http://healpix.sourceforge.net (or https://healpix.sourceforge.io) and publication: K.M. Gorski et al., 2005, Ap.J., 622, p.759 Full software documentation available at https://healpix.sourceforge.io/documentation.php Wiki Pages: https://sourceforge.net/p/healpix/wiki/Home Exchanging Data with HEALPix (in FITS files):... -
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
... - Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390 - Developed with Synchronized functioning of Python and Batch scripts -Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK - Integrated with Molecule Drawing Tool - JSME Editor - If you are facing any issues or for queries . Contact us - kabeermuzammil614@gmail.com MzDOCK Development - Available on WindowsOS and Linux ubuntu 22.04 and more - Software Authorship - Muzammil Kabier -
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GenX
X-Ray and Neutron Reflectivity Modeling
GenX is a scientific program to refine x-ray refelcetivity, neutron reflectivity and surface x-ray diffraction data using the differential evolution algorithm. GenX is very modular and highly extensible and can be used as a general fitting program. -
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Minsky
System dynamics program with additional features for economics
Minsky brings system dynamics and monetary modelling to economics. Models are defined using flowcharts on a drawing canvas (as are Matlab's Simulink, Vensim, Stella, etc). Minsky's unique feature is the "Godley Table", which uses double entry bookkeeping to generate stock-flow consistent models of financial flows. Minsky is good for demonstrating mathematics too, with the most "math-like" interface in system dynamics. Sign up to Minsky's Patreon page (for as little as $1 a month) at... -
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Code_TYMPAN
Open source software calculating industrial noise in the environment
Code_TYMPAN™ is an open source software for calculating industrial noise in the environment. It allows dealing with 3D realistic geometries and has a convenient Human Machine Interface to help engineers to build 3D models and to achieve analysis needed in environmental noise studies. Code_TYMPAN™ allows developing your own calculation method from basic components and geometrical solvers. -
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DAE Tools Project
Object-oriented equation-based modelling and optimisation software
DAE Tools is a cross-platform equation-based object-oriented modelling, simulation and optimisation software. It is not a modelling language nor a collection of numerical libraries but rather a higher level structure – an architectural design of interdependent software components providing an API for: - Model development/specification - Activities on developed models, such as simulation, optimisation, sensitivity analysis and parameter estimation - Processing of the results, such as... -
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PyAMS
PyAMS (Python for Analog and Mixed Signals) CAD approach
PyAMS (Python for Analog and Mixed Signals) is used to simplify modeling analog elements and simulate electronic circuit The objectives of PyAMS is: - Drawing circuit by schematic (CAD approach); - Simulating the circuit; - Creating new symbols for models; - Creating new models of electrical elements by using Python language with pyams_lib; - Presenting simulation results in waveform or in probe; - PyAMS is developed with Python 3+, ElectronJS and NodeJs - Licensed under: PyAMS is free to use. GPLv3 . - Open source. -
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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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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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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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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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BKWSimX
Planung & Simulation kleiner PV-Anlagen
BKWSimX ist eine kostenlose Simulationssoftware zur Planung und Wirtschaftlichkeitsbewertung steckerfertiger PV-Anlagen – ideal für Balkonkraftwerke mit oder ohne Speicher. Die Software erlaubt es, reale Standortdaten, Hardwarekomponenten und individuelle Lastprofile zu kombinieren, um den Eigenverbrauch, Jahresertrag und die Amortisation exakt zu berechnen. Die Benutzeroberfläche ist intuitiv gestaltet und erlaubt u. a. die Simulation mehrerer PV-Generatoren mit eigener Ausrichtung und...
