global-chem 0.3.0

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GlobalChem: A content variable store for Chemistry!

Global Chem is a content variable store for cheminformaticians. Variables that we often use in research should be added here. The main motivation behind this is to eliminate the development time for when folk build their applications or conduct research.

Announcements

• Work has began! April 2020 (added the amino acids)

Using GlobalChem

GlobalChem, initially, is one class object that have a fixed set of variables. Eventually and hopefully as the package grows it will be abstracted out by field i.e protein chemistry, analytical, and so on.

Installation

GlobalChem is going to be distribute via PyPi and as the content store grows we can expand it to other pieces of software making it accessible to all regardless of what you use. Alternatively, you could have a glance at the source code and copy/paste it yourself.

Variables List

• functional groups (SMILES)
• functional groups (SMARTS)
• amino acids (SMILES)

Structure of GlobalChem

Currently, the main subpackages are:

• global-chem: globalchem main class.

Genesis

GlobalChem was created because I noticed I was using the same variable across multiple scripts and figure it would be useful for folk to have.

• Lead Developer Suliman sharif

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External links