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Provides a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.

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# standardiser

This is a tool designed to provide a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.

To install, download this project and ensure that Python can find the standardise/ directory. Note that RDKit must also be installed and accessible to Python.

Or, install via pip: ` pip install standardiser `

Please see the IPython Notebooks in docs/ or the HTML versions in docs/html/ for more information. The HTML version is also available for browsing at https://wwwdev.ebi.ac.uk/chembl/extra/francis/standardiser/.

This work was funded by the IMI eTOX project.

This code is released under the Apache 2.0 license. Copyright [2014] is retained by the EMBL-EBI.

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Files for chemo-standardizer, version 0.1.7
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Filename, size chemo-standardizer-0.1.7.tar.gz (2.5 MB) File type Source Python version None Upload date Hashes View hashes

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