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Top: Science: Chemistry: Software: Development:
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» CACTVS System - A distributed client/server system for the computation, management, analysis and visualization of chemical information of any type. Tool collection for several Unix flavors; some of the tools are distributed freely in precompiled form.
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» The Chemistry Development Kit - Open source Java computational chemistry package which supports chemical structure drawing and the graphical layout of 2D chemical structures.
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» Frowns - Free chemoinformatics toolkit geared toward rapid development of chemistry related algorithms. Written in Python with a small portion written in C++.
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» JChem - A Java based development tool for building portable chemical information systems.
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» JOELib - Free Java computational chemistry library with support for file conversion, SMARTS substructure search, QSAR descriptor calculation, and process/filter methods for molecular data sets.
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» Jumbo - Free kit for processing XML+CML in chemistry. Java 1.4 code, XSLT stylesheets, legacy converters and tools. Also includes tools for generating C++, Python and some F90/5 from the schema.
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» Open Babel - Open-source C++ library for molecule file conversion and pattern matching.
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» pdb2vrml - Free C++ library for converting Protein Data Bank (PDB) files to Virtual Reality Modeling Language (VRML) worlds.
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» PerlMol - Free Perl modules for molecular chemistry. Tutorial, reference manual, downloads and mailing list.
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» Software Development Lohninger - Software and programming components for Delphi and C++Builder covering mathematics, statistics, scientific graphing, and chemistry.
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