Search Results for "chemical reaction software"
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Showing 123 open source projects for "chemical reaction software"
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Waitlist App and Paging SystemStreamline your customer flow with our SMS-powered waitlist, reservations, and queue management app for restaurants, health care providers, and many other businesses.
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ChemCrow
Chemcrow
ChemCrow is an AI-powered framework designed to assist in chemical research and discovery. It integrates AI models with chemical knowledge bases to provide intelligent recommendations for synthesis planning, reaction prediction, and material discovery. This tool helps automate and accelerate research in computational chemistry and drug development. -
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Catalyst.jl
Chemical reaction network and systems biology interface
Catalyst.jl is a symbolic modeling package for analysis and high-performance simulation of chemical reaction networks. Catalyst defines symbolic ReactionSystems, which can be created programmatically or easily specified using Catalyst's domain-specific language (DSL). Leveraging ModelingToolkit and Symbolics.jl, Catalyst enables large-scale simulations through auto-vectorization and parallelism. Symbolic ReactionSystems can be used to generate ModelingToolkit-based models, allowing the easy simulation and parameter estimation of mass action ODE models, Chemical Langevin SDE models, stochastic chemical kinetics jump process models, and more. ... -
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Chemical Trajectory Analyzer
A software package for processing and analyzing chemical trajectories
ChemTraYzer creates reaction models from molecular dynamics simulations. It's available as open software (MIT license). Please find a full description @ https://www.ltt.rwth-aachen.de/cms/LTT/Forschung/Forschung-am-LTT/Model-Based-Fuel-Design/Aktuelle-Projekte/~kqbf/ChemTraYzer/lidx/1 M.Döntgen, M.-D.Przybylski-Freund, L.C.Kröger, W.A.Kopp, A.E.Ismail, K.Leonhard, "Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations", J. ... -
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Kubermatic Kubernetes Platform
The Central Kubernetes Management Platform For Any Infrastructure
Kubermatic Kubernetes Platform is in an open source project to centrally manage the global automation of thousands of Kubernetes clusters across multicloud, on-prem and edge with unparalleled density and resilience. Kubermatic Kubernetes Platform Community Edition (CE) is available freely under the Apache License, Version 2.0. Kubermatic Kubernetes Platform Enterprise Edition (EE) includes premium features that are most useful for organizations with large-scale Kubernetes installations with... -
Junie, the AI coding agent by JetBrainsJunie is an AI-powered coding agent developed by JetBrains designed to enhance developer productivity by integrating directly into popular IDEs such as IntelliJ IDEA, PyCharm, and Android Studio. It supports developers by assisting with code completion, testing, and inspections, ensuring code quality and reducing debugging time.
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Zabbix Docker
Official Zabbix Dockerfiles
Zabbix is an enterprise-class open source distributed monitoring solution. Zabbix is software that monitors numerous parameters of a network and the health and integrity of servers. Zabbix uses a flexible notification mechanism that allows users to configure e-mail-based alerts for virtually any event. This allows a fast reaction to server problems. Zabbix offers excellent reporting and data visualization features based on the stored data. -
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Integrant
Micro-framework for data-driven architecture
Integrant is a minimalistic micro-framework for building applications following a data-driven architecture. It lets you define system components declaratively as configuration data and handles lifecycle actions (init, halt, resume) in dependency order, serving as a modern alternative to Component or Mount. Integrant was built as a reaction to fix some perceived weaknesses with Component. In Component, systems are created programmatically. Constructor functions are used to build records,... -
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Refined GitHub
Browser extension that simplifies GitHub interface and adds features
Browser extension that simplifies the GitHub interface and adds useful features. Adds a build/CI status icon next to the repo’s name. Hides the Projects tab from repositories and profiles when it’s empty. New projects can still be created via the Create new… menu. Hides forks and watchers counters. Changes the default sort order of milestones Closest due date. Adds useful links to the repository navigation dropdown and moves the "Security" and "Insights" tabs to it as well. Adds a keyboard... -
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ChemCalc
Easily set up simulations or estimate needed amounts
...Examples of use: - Setting up a simulation by obtaining the mole fractions of each molecular entity - Anticipating the amounts of raw materials required to carry out a multi-step preparation for a chemical reaction -
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Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.
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Run applications fast and securely in a fully managed environmentRun frontend and backend services, batch jobs, deploy websites and applications, and queue processing workloads without the need to manage infrastructure.
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The Chemistry Development Kit (CDK) is a scientific, LGPL-ed library for bio- and cheminformatics and computational chemistry written in Java. The main home page of the CDK is now at: http://cdk.github.io
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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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OpenFOAM
The Open Source CFD Toolbox
OpenFOAM - The Open Source CFD Toolbox. OpenFOAM is a generic, programmable software tool for Computational Fluid Dynamics (CFD). For more information, see: - Main Website: https://openfoam.org - C++ Source Documentation: https://cpp.openfoam.org - Issue (Bug) Tracking: https://bugs.openfoam.org - User Guide: https://cfd.direct/openfoam/user-guide -
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PyRx - Virtual Screening Tool
Virtual Screening software for Computational Drug Discovery
...PyRx also includes chemical spreadsheet-like functionality and powerful visualization engine that are essential for Rational Drug Design. Please visits PyRx home page to learn more about PyRx and watch videos on how to use it. -
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Realtime Ethernet Driver extension for Cadence MACB/GEM Ethernet Controller driver and Xilinx Axi Ethernet device driver. * The driver can be used parallel to the Linux Network stack. * In combination with the Linux RT-patch, a reaction time from less that 100 µs can be reached. Example: eth0 interface can be used be linux stack and by realtime application. If a realtime application open the device "/dev/eth0_rt" the linux stack is disabled and on device close the linux stack is...
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FEATool Multiphysics - FEA & CFD Toolbox
FEATool Multiphysics is an easy-to-use FEA and CFD Simulation Toolbox
FEATool Multiphysics (https://www.featool.com) is a fully integrated toolbox for computer aided engineering CAE, finite element analysis & fluid dynamics simulations. With a very easy-to-use GUI, anyone is now able to quickly set up and perform large scale dynamical and complex engineering physics simulations, with coupled fluid flow, heat transfer, structural mechanics, chemical transport, and electromagnetics effects, without having to learn complex programming. In addition to... -
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Gemi
PCR primers / probes design from multiple & degenerate sequences
Please, do not hesitate to contact us if you need help. https://sites.google.com/view/hsa23/ Gemi, an automated, fast, and easy-to-use bioinformatics tool with a user-friendly interface to design primers and probes for polymerase chain reaction (PCR). Gemi accepts multiple aligned and long DNA and RNA sequences with degenerate nucleotide (non-A/C/G/T bases). Gemi can be used for quantitative, real-time and conventional PCR (qPCR, rt-PCR, etc.), and Sanger sequencing. Gemi can parse large... -
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PoseidonQ - AI/ML Based QSAR Modeling
ML based QSAR Modelling And Translation of Model to Deployable WebApps
- This Software was made with an intention to make QSAR/QSPR development more efficient and reproducible. - Published in ACS, Journal of Chemical Information and Modeling . Link : https://pubs.acs.org/doi/10.1021/acs.jcim.4c02372 - Simple to use and no compromise on essential features necessary to make reliable QSAR models. - From Generating Reliable ML Based QSAR Models to Developing Your Own QSAR WebApp. -
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GromacsProSuite
Graphical User Interface for Gromacs
This tool is an integrated graphical interface that simplifies molecular dynamics simulations using Gromacs. It provides a structured, tab-based environment to set up, execute, and analyze simulations data without complex command-line operations. The software automates tasks such as topology generation, solvation, ion addition, minimization, equilibration, and production runs while executing GROMACS commands in the background. Built-in monitoring tracks CPU, RAM, and disk usage to ensure... -
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CPARAM
Calculator for Structural Parameters of Armchair-type Nanotubes.
...Therefore, a package was developed to calculate the parameters commonly associated with armchair-type nanotubes, along with their average values. The program works for one or more chemical species present in the structure. It is implemented to run in both Linux and MS Windows command-line interfaces, without the need for the user to employ any visualization software to manually specify each atom delimiting the distance. Preliminary versions of this program have been used to obtain results published in indexed journals. -
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navmol-ch
A fork of the navmol (https://sourceforge.net/projects/navmol/)
NavMol with practical improvements, the addition of menus, the support of Mandarin, the addition of the text-to-speech, the implementation of the interrupt function of speech, and the full internationalization of text, easier and more convenient to be used. -
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HMI SCADA for C/C++
HMI - SCADA Graphics Visualization Source Code Solution For C/C++
.... -- Industrial Control \Design and Simulation Integrated Development Platform VC++ / MFC Source code solution and Web Control for .NET --Adding SCADA/HMI Real-Time Screens to your c#, vb, vc, web applications within a few minutes. Download: http://www.ucancode.net "UCanCode Software Inc. is a leading provider of HMI & SCADA, CAD, GIS and Data Visualization Graphics for software developers more than 40 countries around the world!" E-XD++ real - time visualization graphics system is the best choice for building any kind of HMI & SCADA based industrial configuration software, simulation systems software, coal, petroleum software, chemical, building and other industries software. ... -
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CEA Simplified
tkinter wrapper for NASA CEA focused in rocket chemistry explanations
CEA Simplified is a GUI for a released version of NASA's CEA program from the 1970s. It is similar to the rocketCEA library for python or the ProPEP GUIs in that it attempts to provide an updated tool for using the same underlying software, but it is more focused on being beginner friendly. -
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Abdal FTP BruteForce
FTP BruteForce tool For real Pentest
Abdal FTP BruteForce tool is a powerful software with zero error rate to test the intrusion of servers that work with FTP protocol, this tool supports proxy for attacks and can transfer all your traffic in the hacking process to the proxy Slowly -
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Abdal 404 PenTest
Best tools for 404 WebApp stress
Abdal 404 PenTest tool is a powerful software with multi-thread processing capability to generate 404 errors on the target server or site that can check the level of security of the target. Be sure to watch this tool to better understand the tutorial. -
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Abdal SSH BruteForce
powerful SSH BruteForce tool
Abdal SSH BruteForce tool is a powerful software with zero error rate to test the intrusion of servers that work with ssh protocol, this tool supports proxy for attacks and can transfer all your traffic in the hacking process to the proxy Slowly
