Search Results for "chemistry calculator"
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Showing 35 open source projects for "chemistry calculator"
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ERmod
Approximate solvation free energy calculator
ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER. -
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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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TopoIndices
Calculator of topological indices of molecular graphs (from SDF file)
The first step was taken - the 118 topological indices (2D indices) of molecular graphs can be calculated. The description of topoindices is in the file topoindices.pdf (docs folder). For each index there is at least one literature reference. Several indices were not taken into account for this project: some of them are depending on parameters, some are generally not calculable in the real numbers (square roots of negative numbers). The BASIC code was written for JustBASIC (the free... -
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Jljp
Calculates the voltage across a liquid junction between two solutions
An analogous project written in C# can be found here: https://github.com/swharden/JLJP Liquid junction potential calculator. It's a tool for scientists and engineers who have to do with electrochemistry and electrokinetics. When two solutions containing ions are put into contact, possibly through a porous diaphragm, a voltage develops across them. The calculation of the voltage is not trivial. The program is written in Java. Includes classes that can be included in other programs, together... -
StarTree: Real-Time Analytics for User-Facing ApplicationsStarTree Cloud, powered by Apache Pinot, is our fully-managed Database-as-a-Service (DBaaS). StarTree Cloud frees you from administrative burdens, letting you focus on gaining insights from your data, developing your applications, and meeting the needs of your users. StarTree Cloud is deployable as either public SaaS or private SaaS — which we call Bring Your Own Cloud (BYOC) — and is available on AWS, Azure Cloud, and Google Cloud.
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wxProdOp
NMR Product Operator Calculator
The program does nmr product operator calculations for one, two, three and four spins. Receiver phase cycling is possible in conjunction with pulse phase cycling to simulate coherence pathway selection. An extensive manual and help files are included. Currently running under Linux and Windows. -
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qmol
A simple molecular weight calculator
qmol is a simple molecular weight calculator, available for Linux and Windows, derived from Tomislav Gountchev's KMol. You can enter a formula, (e.g. CH3(CH2)2OH) and get its molecular weight (60.0959 g/mol) and its elemental composition (C3H8O: C 59.96; H 13.42; O 26.62 %). See the features list below for more details or consult the wiki page: https://sourceforge.net/p/qmol/wiki/Home/. For Windows binary and source code see the files section: https://sourceforge.net/projects/qmol/files... -
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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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PPCaP.tw
a calculator on personal probability of prostate cancer
We collect articles and re-computerize those contents to help calculate the probability of prostate cancer for cases. The program now is focus on cases of Taiwan area because or our choice. The articles we used were : 1. Zhao R ans Huang Y et al published at PlosOne 2004 2. Virtanen A and Gomari M et al published at Clinical Chemistry 1999 3. Finne P and Auvinen A el al published at Euro Urol 2002 4. Chua M E and Tanseco PP et al published at Asian J Urol 2015 -
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The Acids and Bases chapters' (14 and 15) calculations are arguably the hardest calculations in all of AP Chemistry. With some problems taking as long as ten minutes to solve, the can be hard to wrap the mind around. However, with the Acids and Bases Program, a quick answer is never more than a click away.
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Codesoft Barcode Label SoftwareCODESOFT is an enterprise-level RFID and barcode label design application offering unmatched flexibility, power, and support. Available in print-only, single-user, and network configurations, CODESOFT is designed to meet all of your barcode labeling needs. Whether your goal is streamlining label printing, printing labels using a form, connecting a scale to your label template, or integrating your business database with your label templates, CODESOFT provides a solution for your organization’s most advanced labeling needs. Connect to SQL or Oracle databases for business system integrations and greater efficiency. CODESOFT includes over 100 barcode symbologies including GS1, supports all common image formats, and enables rich text editing. Native printer drivers are included for over 4,000 thermal, thermal transfer, and inkjet label printers to ensure the best label printing quality.
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Solution Percenter
Calculator for making solutions
Soluton Percenter is a program for making solutions percent. Maked by python and PyQt4 module. For chemists, mathematicians and barmans. Program can create advanced recipes and print them. -
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alkacalc
Lye calculator for soapmaking
AlkaCalc assists with the creation of soap recipes for either liquid (potassium hydroxide) or bar (sodium hydroxide) soaps by calculating the amount of lye needed to saponify any combination of soapmaking oils. -
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Denaturant Concentration Calculator
Calculate the concentration of Urea or Guanidine in solution.
Calculate the concentration of Urea or Guanidine in solution from the measured refractive index of the sample. -
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Alcohol Calculator
Ein Alkohol Rechner
Dieser Alkohol Rechner gibt dem Nutzer die Möglichkeit ungefähr seinen Alkoholgehalt im Blut zu bestimmen. Alle Angaben des Programms sind natürlich ohne Gewähr und natürlich kann der Alkoholgehalt auch wesentlich höher oder niedriger sein. -
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calistry
Chemistry Calculator
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Computing with units
Calculator that takes care of measurement units.
Java program for computations with values expressed in terms of physical or other units. Supports complicated mathematical expressions and user-defined functions. Invoked from scripts, line command, or as GUI. Extensive units data base. -
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islec
ISL Solid-Liquid Equilibrium Calculator
ISL Equilibrium Calculator,which process solid-liquid equilibrium calculation by using Harvie extended Pitzer's ion interaction electrolyte solution model and particle swarm optimization Gibbs free energy minimization (GEM). ISLEC is an efficient tool for solid-liquid equilibrium calculation, and can simulate the crystallization path of seawater and salt lake brines. ISLEC is suitable for related researches and process design. -
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Chemical Mass Calculator
Calculates chemical compounds molar masses
Small and fast software that calculates the molar mass of a chemical formula. Can redirect user to the wiki page of the compund or to the NCBI chemical database. Multilanguage. -
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pyisocalc
Isotopic pattern calculator in python 2.x
This is an isotopic pattern calculator written in python. It depends on re, sys, numpy, operator, itertools, and matplotlib. -
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A GUI to calculate chemical compound characteristics along with their Neutron and X-Ray Scattering Length Densities. Comes as standalone package for Windows, Linux and MacOS (in the future).
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Multi-Step Heat Calulator
A multi-step heat calculator.
A multi-step heat calculator. it currently only calculates heat gained. -
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set of 4 calculations related to chemistry... 1. Boyle's law 2. Ideal gas law 3. Molar mass calculator 4. Dilution of solution
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Either a single program, or a collection of programs, with the purpose of easing various calculations involved in Chemistry. The focus will necessarily be centered around those topics covered in first semester General Chemistry, at the college level.
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Solve equations, view charts and graphs, make conversions, balance equations and more. Chemistry Calculator.
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Sudsy is a saponification calculator coded in Python. The CLI works fine, but the PyGTK version still needs some work...The interface is designed and it starts up, but some of the callbacks still need to be implemented. Let me know if you can help.