13 lines
629 B
Plaintext
13 lines
629 B
Plaintext
chemlab is a python library and a set of utilities built to ease the
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life of the computational chemist. It takes inspiration from other
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python scientific library such as numpy scipy and matplotlib, and aims
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to bring a consistent and simple API by following the python
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guidelines.
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Computational and theoretical chemistry is a huge
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field, and providing a program that encompasses all aspects of it is an
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impossible task. The spirit of chemlab is to provide a common ground
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from where you can build specific programs. For this reason it
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includes an easily extendable molecular viewer and flexible data
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structures field-independent
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