Open Source Linux Chemistry Software
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Chemistry Software for Linux
View 11 business solutionsBrowse free open source Chemistry software and projects for Linux below. Use the toggles on the left to filter open source Chemistry software by OS, license, language, programming language, and project status.
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An open source workbench for chemo- and bioinformatics built on the Eclipse Rich Client Platform (RCP).
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A univariate and multivariate analysis UI. This project is no longer under development. Please use as you wish.
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Quantities provides an interface to the use of numbers which are associated with a dimension and a unit (physical quantities) in computer calculations (quantity calculus) just like C++ built-in types.
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chemfiles
Modern library for chemistry file reading and writing
Chemfiles is a modern and high-quality library for reading and writing trajectory files created by computational chemistry simulations program. These trajectories contains atomic positions, velocities, names, topology and sometimes more. Running simulations produce enormous amounts of data, which has to be post-processed to extract physical information about the simulated system. Chemfiles provides an interface to access this information which is - unified: the same code will work with all the supported formats; - simple: the interface is easy to use and extensively documented. This is only a mirror of the main repository, development of chemfiles happens on Github, at https://github.com/chemfiles/chemfiles/ -
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GLARE is a library and a software for product based optimization of reagent lists in the context of a chemical combinatorial library design. Large virtual combinatorial libraries containing 10^12 products have been optimized within a second.
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