Search Results for "chemistry iupac name"
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Showing 16 open source projects for "chemistry iupac name"
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Chem-Parser
Molecule Sketcher and Immediate Parser to Excel, .SMI and 3D SDF
Chem-Parser is an intuitive and efficient utility designed to streamline the data curation process for QSAR (Quantitative Structure–Activity Relationship) modeling and cheminformatics workflows. This versatile tool allows users to draw chemical structures, parse multiple SMILES strings, and automatically populate a structured table with associated compound names and custom-defined value tags such as biological activity or physicochemical properties. By enabling rapid structure-to-data... -
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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/Visual Math-Chemistry Editors, Question/Item Bank, Multiple Question Types, Multiple Delivery Styles, Multiple Delivery/Results Options, Adaptive/Branching... -
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Argo
ARGO is a program for analysis of electronic structure calculations
The `Argo' program draws its name from ancient Greek, referencing the vessel of the same name commissioned for Jason's renowned Argonauts expedition. This choice symbolizes the pursuit of making the best use of quantum chemical calculation results. ARGO facilitates the analysis of results obtained from quantum chemistry codes, specifically Gaussian. This task is achieved through a set of Python scripts. -
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Strukturformel-Zeichner
A Tool to draw carbon compounds based on the IUPAC-description
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An easy and simple tool to calculate the half-lives of radioactive substances and looking up elements on the table of elements by name, element symbol, atomic number, or atomic weight. Source code is on GitHub here: https://github.com/InfinityDevelopment/ChemistryCalculator NOTE: This is a Java program. Inside the ZIP there is the .jar file and .bat file(which you would run to start the program on Windows) required to run on Windows, however, to run it on other operating systems you...
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COOP for CRYSTAL
Calculate Crystal Orbital Overlap Population for the CRYSTAL program
...The program reads in coefficients of crystal orbitals and overlap matrices obtained from the periodic calculations by the CRYSTAL98/03 program. Written by Yang Wang Department of Chemistry,Beijing Normal University Nov. 12th-13th, 2004 Usage: COOP [-v] [-t] [-r] control-file-name -v verbose -t generate control file template -r reserve temporary files A control file is needed to specify the input and output files, type of calculation, indices of basis functions or atoms, energy range, and the maximum number of neighboring cells to be taken into account. ... -
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PTable is a lightweight and easy to use application hat aims to bring you more information about the chemical elements which are represented in the periodic table. Besides the colored grouping, PTable is able to display details about any element you click onto. Thus, you can view the atomic number, symbol, common name, atomic weight, density, state and much more.
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Chemical Reaction
Balance chemical reaction and compute material balance
This Python program is used to balance a chemical reaction and to compute the material balance. Furthermore, it's able to check molecules and to write the condensed strutural formula from the name of an organic molecule. (Those both functionalities are still limited.) -
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OSCAR (Open Source Chemistry Analysis Routines) is software for the semantic annotation of chemistry papers. The modules OPSIN (a name to structure converter) and ChemTok (a tokeniser for chemical text) are also available as standalone libraries.
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Datagam is a tool for extracting data from output or punch files produced by GAMESS(US) or FireFly (old name PC GAMESS) packages. Mac GUI wrapper also available. Upstream version of the project goes to the launchpad. Only final versions of the source code and compiled binars will be available from this domain.
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Goldify is a set of tools that allow automated addition of links into electronic documents. Its main purpose is to allow such addition of links into documents that wish to link to the IUPAC GoldBook (http://goldbook.iupac.org).
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The JCAMP-DX project is the reference implemention of the IUPAC JCAMP-DX spectroscopy data standard.
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The IUPAC International Chemical Identifier (InChI) is a protocol for converting a chemical structure (connection table) to a unique, predictable ASCII character string. This project will develop facilities for using and applying the InChI algorithm.
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A Java program to parse chemical names using IUPAC nomenclature. The output can be either a visualisation of the molecule, or in a form for other programs to use (e.g. CML).
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ChemM is a free chemical manager for storing and searching information about reagents in laboratory. Allows substructure/exac matching as well as searching by name/cas numbers/reagent codes.
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