Search Results for "chemistry equation editor"
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Showing 70 open source projects for "chemistry equation editor"
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Avogadro 2
Avogadro libraries provide 3D rendering, visualization, and analysis
AvogadroLibs is the core C++ library behind Avogadro 2, an open-source molecular editor and visualization platform used in chemistry, materials science, and education. It provides the essential tools for constructing, analyzing, and visualizing molecular structures in 2D and 3D. Designed for extensibility, AvogadroLibs supports plugins for quantum chemistry computations, molecular mechanics, and surface rendering. It interfaces with multiple chemistry formats and data sources, making it a versatile backbone for scientific applications and custom visualization tools. -
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matcik svg editor
svg editor: Easily create documents for math, physics, chemistry...
...Matcik gelişmiş online svg editor. -
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Molsketch
2D molecule editor
Molsketch is a 2D molecular editing tool. Its goal is to help you draw molecules quick and easily. Of course you're creation can be exported afterwards in high quality in a number of vector and bitmap formats. -
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Avogadro
An intuitive molecular editor and visualization tool
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture. -
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WavePacket (C++/Python)
Time-dependent simulation of open and closed quantum systems
Note: This package has been superseded by a Python-only package. See https://github.com/ulflor/wavepacket for the follow-up project. WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations. Optionally accounting for the interaction with external electric fields within the semiclassical... -
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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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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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ShelXle
ShelXle is a Qt GUI for SHELXL
ShelXle combines an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res (output) files with an interactive graphical display for visualization of a three-dimensional structure including the electron density (Fo) and difference density (Fo-Fc) maps. See J. Appl. Cryst. (2011). 44, 1281–1284. for details. -
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luscus
molecular editor and viewer
Luscus is the program for graphical display and editing of molecular systems. The program allows fast and easy building and/or editing different molecular structures, up to several thousands of atoms large. Luscus can also visualize dipole moments, normal modes, molecular orbitals, electron densities and electrostatic potentials. In addition, simple geometrical objects can be rendered in order to point out a geometrical feature or a physical quantity. The program is developed as a graphical... -
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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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Miramath is an open source project inspired by the MathCad mathematical application. The main user interface consists of a page into which mathematical expressions can be entered or edited and then evaluated.
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Ket
An algebra editor
A text editor for maths. Simple algebra should be faster and more intuitive to perform on a computer than on paper and should look like maths. Write small fragments in plain text; perform simple click-and-drag algebra with the mouse; and explore more involved algebra through keyboard shortcuts. When done, save as plain text files or export to LaTeX and HTML. -
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JRC QSAR Model Database
(Q)SAR Model Reporting Format Inventory
In the regulatory assessment of chemicals (e.g. under REACH), Quantitative Structure Activity Models (QSAR) are playing an increasingly important role in predicting properties for hazard and risk assessment. This implies both a need to be able to identify relevant QSARs and to use them to derive estimates and/or have access to their precalculated estimates. To help meet these needs, the JRC QSAR Model Database is established and freely accessible through http://qsardb.jrc.ec.europa.eu/qmrf... -
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Book-Reviews-In-Mathematica
Partial Differential Equations, Complex Analysis, Mathematica, Farlow
Cliff* Notes, Mathematica Evaluatable "Partial Differential Equations for Scientists and Engineers", Farlow "Physics for Scientists and Engineers", Serway "A First Course in Complex Analysis", Beck "PDE", Asmar "PDE, An Introduction", Colton "Elementary Differential Equations", 7th, Rainville "Ordinary Differential Equations", Tenenbaum "Linear Algebra And It's Applications", Lay "Swokowski Calculus", 5th, Swokowski "Chemistry Concepts & Problems, A Self-Teaching Guide",... -
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QxCalc
QxCalc, a scriptable calculator
QxCalc For mathematical calculations in high-school, physics, chemistry, mathematics, economics, electrical, mechanical. Create equations, and also calculate with them, with ease. You use the calculator the same way as you use a pen and paper. It is quite simple, and can do a lot of work given syntax correctness. It comes with a "basic" gui, however the best way to use it is with the 'vim' editor, for which it has a syntax highlight file (calc.vim). -
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MzDOCK - Multiple Ligand Docking Tool
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
- Molecular Docking Virtual Screening Tool To Aid In 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 . ... -
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WavePacket (Matlab/Octave)
Dynamics of quantum systems, controlled by external fields
WavePacket is a program package for numerical simulation of quantum-mechanical wavepacket dynamics of distinguishable particles. It can be used to solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, partly also classical or quantum-classical Liouville equations. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate modern... -
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Quiz/Survey/Test - QST
A Free, complete, open source universal assessment/exam platform
QST, the worlds unparalleled open source, multi-tenant, online/lan assessment software. From a quick quiz on your phone to very large scale, high stakes, proctored desktop testing, we make it easy/secure/economical. Our intuitive design contains features (Immediate detailed results, Create/Export/Import/Convert Questions, WYSIWYG/Math-Chemistry/Basic Editors, Question/Item Bank, Multiple Question Types, Multiple Delivery Styles, Multiple Delivery/Results Options, Adaptive/Branching... -
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Simple vector graphics editor for creating flowcharts, diagrams and slide shows.
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MathClav
the best way to type Math on your computer
convert your keystrokes into LaTex Math equation they coud be insert directly in all the most famous text editor. to activate the math mode you can use '²' and ctrl for the greek mode you can found a usefull pdf in the utile folder -
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RTextDoc
An editor for structured documents
RTextDoc is an editor for structured text documents such as LaTeX, AsciiDoc, DocBook. RTextDoc has proofreading capabilities: on-the-fly spelling, instant grammar checking and built-in free dictionaries. RTextDoc has syntax highlighting, bracket matching, folding, document structure browser for sections and labels, bookmarks, manager for LaTeX symbols, an editor for mathematical equations,integrated BibTeX database manager and several tools to convert LaTeX to HTML and back. AsciiDoc... -
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ChemicalA
A small tool for chemists and chemistry amateurs
A very simple program. For balancing chemical equations and for converting units (Temperature, Weight, Pressure, Volume, Radiation, etc). It is coded with Qt Creator For Win 64 bit and Linux 64 bit, using Qt lib. I am working on a Linux version. I have tested it with Kubuntu 18.04 and 20.10 and OpenSUSE Tumbleweed. It is 64 bit. I compiled with Qt Creator. Best of all, I provide the source code and ALSO THE EXECUTABLE FOR LINUX! -Tested with Kubuntu 18.04, 20.10, 22.04 -Tested with... -
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WaveTrain (Python)
Quantum dynamics of chain-like systems using tensor train formats
WaveTrain is an open-source software for numerical simulations of chain-like quantum systems with nearest-neighbor (NN) interactions only (with or without periodic boundary conditions). This Python package is centered around tensor train (TT, or matrix product) representations of quantum-mechanical Hamiltonian operators and (stationary or time-evolving) state vectors. WaveTrain builds on the Python tensor train toolbox scikit_tt, which provides efficient construction methods, storage... -
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JAEE - Just Another Equation Editor is an Equation Editor using Latex. It can allow Latex input and convert them to images. You can save the image or copy the image. This software is inspired by KLatexFormula, but uses CSharpMaths Library. I do not know what KLatexFormula uses.
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JATE is an enhanced notepad(maybe wordpad also) replacement. It includes all the features in notepad plus Math equation editor, Symbolic calculator, graph plotter, syntax highlighting, and etc. It is an upgrade from QuillEdit at https://sourceforge.net/projects/quilledit/
