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