Open Source ChromeOS Chemistry Software - Page 7

MyLabBook is a free and open source electronic lab notebook (ELN) built on on the WordPress CMS. The basic installation provides capabilities for collecting, displaying and sorting data with a sample data set and can be modified for different experiments. It can easily accommodate hundreds of users with a role based permission system. This makes it appropriate for classroom situations especially but can also accommodate individual researchers or research teams. Being built on WordPress also means that thousands of additional free and open source as well as reasonably priced commercial plugins can be used to enhance its capabilities. This approach is based on over a decade's experience with the biotech program at the University of Houston and from being utilized at other universities with an NSF funded project. We continue to evolve its capabilities and ease of use. Note that the screenshots are based on the use of some relatively inexpensive commercial plugins.

NOSE is a package for simulation of linear and non-linear optical and infrared spectra, including absorption, fluorescence, circular dichroism, pump-probe, photon echo and other.

OCW is a scripting language and interpreter for controlling complex operations of valves and pumps in microfluidic devices. The interpreter program uses parallel ports to interface with any automation project. The program runs on Linux and Windows.

Octet is an object-oriented molecular representation framework written in Java.

Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.

Sistema de informacion Nutricional - Olive. Desarrollado por LandSoft S.A.

OpenOffice.org extension for creation and editing of chemical structures embedded into OOo documents

OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor - harmonic oscillator approximation

OBExtensions is a extension library for the chemoinformatics library Openbabel. It provides extensions to Openbabel, being mostly GUI widgets. OBExtensions has a 2D/3D viewer, 2D coordinates generator and some other extensions.

Peptide is a project to develop an integrated software tool for Mass Spectroscopy analysis of peptides.

This application will show you the periodic table and it also has a huge amount of data for each element in the periodic table. Almost every term for the element is described!

The Periodic Table via a simple Java applet. The official source repository is located at https://github.com/textbrowser.

PTE-1.5 is for Mathematica 11.1 PTE-1.4 and prev for Mathematica 4.0 linux PTE (among other things) generates periodic tables from variable data (the data and layout can be changed for a particular subject). Includes Pauli Exclusion makers and some data. Charts can be browsed with an iPhone nicely (may need .jpg, .gif nicer). It's printable at a small size. This chart is neat, compact to print, yet has plenty of data. Layout change un-restricted but is non-interactive. which is good and bad: it does the job. CreateModule creates a Function from roped lines,: eval lines freely form while working, creates function from that auto. The following now have their own page now and new Mathematica 11 versions: older versions are on download page for historic url reasons. http://sourceforge.net/p/fnbookform2formathematica/ http://sourceforge.net/p/nchineseremainders/ http://sourceforge.net/p/months4mathematica/ also: READMEs, .nb, miscellany in Files list

PerlMol is a collection of Perl modules for chemoinformatics and computational chemistry with the philosophy that "simple things should be simple". It should be possible to write one-liners that use this toolkit to do meaningful "molecular munging".

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PFMD performs a Molecular Dynamics simulation of some polarizable fluids at the liquid state by means of a dissociable potential. Supported molecules are H2O (water) and MX3, where M is a metal among Al, Fe, or Ga and X is a halogen among Cl, Br, or I.

Fits and scores vertices from models onto reference vertices to find its polyhedral identity and symmetry quantitatively. Java based with GUI

primeHandle is a set of data management tools in support of the PrIMe Initiative (http://primekinetics.org). primeHandle includes graphical user interfaces for searching through data collections, editing and submitting data to the PrIMe Data Depository.

A Java-based tool to visualize, integrate and analyze LC-MS/MS proteomics data.

PySpline is a graphical, cross-platform program for processing X-ray absorption spectroscopy (XAS) and Extended X-ray absorption fine structure (EXAFS) data. It allows processing parameters to be adjusted and observe the effect on R-space data.

QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.

QSAR is a project that aims to build a GUI that enables people to build quantitative structure activity (or property) relationship models. It will use parts of CDK (cdk.sf.net), JOELib (joelib.sf.net), R (www.r-project.org) and other projects.

Quantum Monte Carlo algorithms expressed in Python. This code calculates electronic properties of atoms and molecules from first principles.

We use R (www.r-project.org) in order to generate a greater specificity and sensitivity of protein identification by Mass Spectrometry. These functions are implemented as add-on packages to the open source GPL software R.