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Web based laboratory information management system
A web-based LIMS (Laboratory Information Management System) · Built in Plone · Professionally supported · Making waves · bi:ka (Zulu): tell it as it is
More information and links to manuals, user forums, support and translations are available at https://www.bikalims.org/support-and-service-provision
Bika community: www.bikalims.org
Main project sponsor, Bika Lab Systems: www.bikalabs.com
Inquiries: lemoene@bikalabs.com
Information System "Supercritical Fluid Extraction"
...The final target is to help to scientists who worked with supercritical fluids to predict some useful properties such as density, solubility etc.
In order to calculate molecular descriptors, parse SMILES and another applied purposes is used Chemistry Development Kit (https://sourceforge.net/projects/cdk).
The pySpec project is a set of data analysis routines written in python for analysis of x-ray diffraction data produced by the SPEC X-Ray Diffraction and Data Acquisition software.
This repo has moved to : https://github.com/stuwilkins/pyspec
iso2l (ˈaisəutuːl, spoken isotool) is a software to calculate the isotopic distribution of a chemical formula or a amino acid chain.
The development has been MOVED TO https://github.com/binfalse/iso2l
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The repository has been moved to: https://github.com/wojdyr/fityk. Fityk is nonlinear curve-fitting and data analysis software. It is specialized in fitting peaks (bell-shaped functions like Gaussian, Loretzian, Pearson7, Voigt) to experimental data.
HOT is a package of Matlab and Octave compatible functions that manage thermodynamic data for a wide range of species. Functions calculate almost all the most common thermodynamic quantities of mixtures.
Python users may also want to look at PYroMat at https://chmarti1.github.io/PYroMat/index.html
The JChemPaint Applet and Swing Application are Java programs for drawing 2D chemical structures like those found in most chemistry textbooks. It is based on the Chemistry Development Kit (cdk.sf.net). Downloads, tracker, and source code repository can be found on https://jchempaint.github.io
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