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Open Babel is a free chemical informatics software designed to facilitate the conversion of Chemical file formats and manage molecular data. [3] It serves as a chemical expert system , widely used in fields such as cheminformatics , molecular modelling , and computational chemistry .
An output of pip install virtualenv. Pip's command-line interface allows the install of Python software packages by issuing a command: pip install some-package-name. Users can also remove the package by issuing a command: pip uninstall some-package-name. pip has a feature to manage full lists of packages and corresponding version numbers ...
Some package managers, including pip, use PyPI as the default source for packages and their dependencies. [6] [7] As of 6 May 2024, more than 530,000 Python packages are available. PyPI primarily hosts Python packages in the form of source archives, called "sdists", or of "wheels" [8] that may contain binary modules from a compiled language.
OELib was an open source Cheminformatics library written by Matt Stahl and based on the ideas of OBabel. [1] Its actual GPLed C++ and Java based successors are OpenBabel and JOELib , [ 2 ] with Its commercial successor being called OEChem .
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Ghemical is a computational chemistry software package written in C++ and released under the GNU General Public License. [3] The program has graphical user interface based on GTK+2 and supports quantum mechanical and molecular mechanic models, with geometry optimization, molecular dynamics, and a large set of visualization tools.
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Babel is a free and open-source JavaScript transcompiler that is mainly used to convert ECMAScript 2015+ (ES6+) code into backwards-compatible JavaScript code that can be run by older JavaScript engines. It allows web developers to take advantage of the newest features of the language.