Search Results for "open-shell" - Page 5
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1117 projects for "open-shell" with 2 filters applied:
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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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Go From AI Idea to AI App FastAccess Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.
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Virtual Laboratory Environment
A multi-modeling and simulation environment to study complex systems
VLE is a multi-modeling and simulation environment to study complex dynamic systems. VLE is based on the discrete event specification DEVS. and it implements the DSDE formalism (A merge of Dynamic Structure DEVS, DSDEVS, with Parallel DEVS, PDEVS). VLE provides a complete set of C++ libraries, called VFL (VLE Foundation Libraries), to develop DEVS models, to gets results of simulations, to launch simulation on cluster. The models can be developed with the DEVS formalism or with the classical... -
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Tissue Simulation Toolkit is a two-dimensional library for the Cellular Potts Model (Graner and Glazier 1992; Phys. Rev. Lett. 69, 2013), which is increasingly used by computational biologists to study tissue patterning and developmental mechanisms.
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...The use of SCNSL allows the easy and complete modelling of distributed applications of networked embedded systems such as wireless sensor networks, routers, and distributed plant controllers. SCNSL has migrated: please go to GitLab for the latest version: https://gitlab.com/open-kappa/scnsl
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scnu
Fortran codes for SCNURS method - Side Cut Non-Uniform Residual Stress
SCNURS - Side Cut Non-Uniform Residual Stress measurement method for plates, - is a destructive RS measurement method developed in Moscow, Russia and later in Bristol, UK. The method is specifically designed for the measurement of highly non-uniform RS fields, including discontinuities, in plates. This project collects all codes which implement forward and inverse solution to the RS problem. The codes are in modern Fortran with OpenMP. The codes are distributed under 2-clause BSD... -
AI-generated apps that pass security reviewRetool lets you generate dashboards, admin panels, and workflows directly on your data. Type something like “Build me a revenue dashboard on my Stripe data” and get a working app with security, permissions, and compliance built in from day one. Whether on our cloud or self-hosted, create the internal software your team needs without compromising enterprise standards or control.
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finds exact gain, directivity and input impedance of Yagi or log-periodic antennas (planar symmetric array of cylindrical dipoles, many driven elements) for a range of specified frequencies, integrates 2D for segments on the same element, moment method
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PF_HP
Prediction of proteinfolding in 2D HP model
Even in the simplified two dimensional HP-model (hydrophob/polar) the prediction of proteinfolding is NP complete. We implement a brute force algorithm with serial and parallel execution to solve short inputs of HP sequences (0-1 bitstrings). Selbst im vereinfachten zweidimensionalen HP-Modell (hydrophob/polar) ist die Proteinfaltung bereits NP-vollständig. Hier implementieren wir einen brute-force Algorithmus zur Lösung kurzer Eingabesequenzen (0-1-Bitstrings) für die... -
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A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032
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TROPICS - Trajectory of Particle In a Crystal Simulator программный комплекс для моделирования траекторий движения быстрых заряженных частиц в осевых и плоскостных каналах кристалла под ОС Windows и Linux. Комплекс легко расширяется плагинами, может работать как в графическом режиме, так и в консольном для простого встраивания в другие программы. Комплекс обладает богатым количеством возможностей и настроек. Для построения графиков используется графическая библиотека MathGL...
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NeuralSyns
NeuralSyns is a neural simulator for large spiking networks.
NeuralSyns is a neural simulator for large spiking networks. New neuron and synapse dynamics can be added, and complex network models can be easily built using the included tool NetBuilder. OpenGL is used to show the network's architecture and activity. -
Forever Free Full-Stack Observability | Grafana CloudBuilt on open standards like Prometheus and OpenTelemetry, Grafana Cloud includes Kubernetes Monitoring, Application Observability, Incident Response, plus the AI-powered Grafana Assistant. Get started with our generous free tier today.
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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... -
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AcMus is a project on musical acoustics devoted to the development of models and computer tools for the study of room acoustics and focus on helping the investigation of issues related to the design, control and acoustic treatment of environments. AcMus has not been maintained for a few years now, but the code may still be useful. We consider the current repository to be at https://gitlab.com/ccsl-usp/acmus .
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As of August 2018 Spheral++ has moved to Github -- please see the current repository at https://github.com/jmikeowen/spheral We are leaving a frozen version here on SourceForge for historical reasons. Spheral++ provides a steerable parallel environment for performing coupled hydrodynamical & gravitational numerical simulations. Hydrodynamics and gravity are modelled using particle based methods (SPH and N-Body).
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TEACUP
TCP Experiment Automation Controlled Using Python
TEACUP automates many aspects of running TCP performance experiments in a specially-constructed physical testbed. TEACUP enables repeatable testing of different TCP algorithms over a range of emulated network path conditions, bottleneck rate limits and bottleneck queuing disciplines. TEACUP utilises a text-based configuration file to define experiments as combinations of parameters specifying desired network path and end host conditions. When multiple values are provided (e.g. for TCP... -
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IT++ is a C++ library of mathematical, signal processing and communication classes and functions. Its main use is in simulation of communication systems and for performing research in the area of communications.
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CCruncher
Open-Source Project for Credit Risk Modeling
CCruncher is a project for quantifying portfolio credit risk using the copula approach. It is a framework consisting of two elements: a technical document that explains the theory, and a software program that implements it. CCruncher evaluates the portfolio credit risk by sampling the portfolio loss distribution and computing the Expected Loss (EL), Value at Risk (VaR) and Expected Shortfall (ES) statistics. The portfolio losses are obtained simulating the default times of obligors and... -
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JDistlib
Java library of statistical distribution
A Java package that provides routines for various statistical distributions. Based on R version 2.14.1 (continuously updated; current as of R v3.3.0). The major difference is that JDistlib is thread safe. The library contains the density (pdf), cumulative (cdf), quantile, and random number generator (RNG) routines of the following distributions: Ansari, Beta, Binomial, Cauchy, Chi square, Exponential, Fisher's F, Gamma, Geometric, Hypergeometric, Kendall, Logistic, Log normal, Negative... -
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TARQUIN
MRS/NMR analysis software
Analysis software for MRS/NMR data. Allows processing and fitting to be performed in a fully automatic workflow. -
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Calculation of camshafts - allows to define a camshaft profile on the set trajectory which should provide the given mechanism. The trajectory can be set graphically, co-ordinates or function.
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Acoustic Research Tool (ART)
Acoustic Simulation Library for Frequency and Time Domain Simulations.
ART is a flexible simulation framework for wind instruments. It includes a growing library of modelling elements. So far bore discontinuities, branches, tone holes, cylindrical and conical tubes, Bessel horns and bent tubes are available for frequency domain modelling. In the time domain generic bidirectional propagation elements, scattering elements, fractional delays, convolution with reflection functions and general z-domain networks are available and can be described using MuParserX... -
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Capsim(r) C Text Mode Kernel(TMK),DSP and communication blocks, topologies, libraries and tools for the development of high performance block diagram digital signal processing and communications systems,built in interpreter for scripting.SystemC support.
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This site hosts the source code for C++ version of the Broker for SBW, NOM module, advanced simulation suite, analysis applications and model editors.
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General purpose dataflow programming language.
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abumpack
Fortran library with the Abaqus user material subroutines UMAT/VUMAT
This library contains several of user material subroutines for implicit quasi-static (UMAT) and explicit dynamic (VUMAT) versions of the Abaqus solver. The project web site: http://abumpack.sf.net. The Abaqus is a proprietary finite element (FE) code ( http://www.3ds.com/products-services/simulia/products/abaqus/). Users can write subroutines for use with the Abaqus. Linear elastic, isotropic hardening plasticity, Gurson-Tvergaard-Needleman (GTN), Rousselier constitutive models are... -
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MEMBPLUGIN
MEMBPLUGIN: studying membrane complexity in VMD
MEMBPLUGIN is a membrane analysis tool for molecular-dynamics simulations. It is a collection of visual and command-line tools that can be run within the Visual Molecular Dynamics (VMD) environment to analyze biomolecular simulations of lipid bilayers. -
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Agility Record Book
Dog agility trial result tracker
Track your Agility dog trial results. Multiple dogs can be tracked in a single file. Many venues are supported. Windows and Mac are supported. Please note: ARB moved to GitHub on 2017-12-27: https://github.com/dconnet/AgilityBook
