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Software Resources

These resources have been created by Dr Chris Swain:

Useful Python Libraries for Data Science
Note: Most can be installed using either condo or pip.

Open-Source Chemistry Toolkits
Note: This listing page will hopefully prevent stop people reinventing the wheel. 

UNIX Commands for editing large files containing chemical structures
Note: I'm regularly handling very large files containing millions for chemical structures and whilst BBEdit is my usual tool for editing text files in practice it becomes rather cumbersome for really large files (> 2 GB). In these cases this compilation of UNIX commands should make life easier. Whilst I use them when dealing with large chemical structure files they are equally useful when dealing with any large text or data files.