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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.

Release History

Release History

This version
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1.1

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1.0b1

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0.3

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0.2

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0.1

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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
chemlab-1.1.tar.gz (10.4 MB) Copy SHA256 Checksum SHA256 Source Oct 25, 2016

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