Search Results for "commons"
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Showing 15 open source projects for "commons"
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Software developed for the analysis of Neutron Reflectivity data.
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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,... -
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SMSD
SMSD is a Java based software library for calculating MCS.
SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure). -
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a toolkit for numerical simulation of distinguishable particles. It can solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, as well as classical or quantum-classical Liouville equations. External electric fields can be added within the semiclassical dipole approximation, thus WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry, including... -
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Newton-X
Newtonian dynamics near the crossing seam
NX is a program for nonadiabatic molecular dynamics in the electronic excited states. It is based on the surface hooping approach. -
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XR3FoodAnalyser
Analyze food ingredients!
Comments: Confirm that the food you eat is health with this app.Including over 5000 ingredients!!! System Requirements: Java 1.8.0_45++ required. -
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Periodic Finder
An app used to find elements and their properties
Instantly and easily find all the information you could need on an element with a few key strokes. -
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Reack
Chemical reactions: balancing and stoichiometric calculations
This app allows build by introducing chemical compunds or import from a database equations of chemical reactions and balance them. Also it makes stoichiometric calculations with the balanced equation Do stoichiometric calculations on the balanced equation. Results can be saved in a text file. Also, there is an editable database of chemical elements. It is an integrated environment for aspects that usually are treated separately: Balancing of chemical reactions and ... -
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TeachingDemos
Bioinformatics related demos and tutorials using the R programming lan
Bioinformatics related demos and tutorials using the R programming language for large biological data. Licence: Creative Commons Attribution-NonCommercial 4.0 International License -
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Flint
Free Chromatographic Integrator
Flint is a small Java based integrator for use on chromatography data. In time another project called Tinder will support a GUI for use together with Flint. -
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Tabla Periodica
Tabla periódica completa con funciones especiales únicas.
Tabla periódica completa con funciones especiales únicas. Desarrollada en Java como proyecto final del área de Química en Ingeniería de sistemas segundo semestre. -
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HPLC Retention Predictor
Performs accurate HPLC retention prediction
A Java applet that performs accurate HPLC retention prediction by back-calculating the gradient profile and flow rate actually produced by a user's instrument. -
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Predyketide is a stand-alone desktop application which provides a way to observe the resulting structure per elongation of the polyketide chain, and predict the most possible natural product structure. This tool can be helpful in the discovery of new drugs requiring lesser time and effort. The project uses the cdk v.1.5 and cdk-jchempaint-26.
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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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