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A python package for tabulating crystallization results across many trays

Project description

crystalscreening

A simple python package for organizing crystallization screening results.

Logging and optimizing crystal hits can involve either a lot of redundant notetaking, or frequent look-ups of varying conditions across numerous trays. With this package, you input all information about your crystal conditions just once, and that information is automatically included when you log a 'hit'.

You can find a working example in sample.ipynb, with the slight caveat that the package isn't pip-installable yet, so to run the code yourself you'd need to download this repo and add it to your PYTHONPATH via something like

export PYTHONPATH="${PYTHONPATH}:/Path/to/local/copy/of/crystalscreening"

in your .bashrc

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