Scopy (Screnning COmpounds in PYthon), an integrated negative design python library designed for screening out undesirable compounds in the early drug discovery. Scopy includes six modules, covering data preparation, screening filters, the calculation of scaffolds and descriptors, and the visualization analysis.

>>> conda install -c conda-forge rdkit

Scopy has been successfully tested on Linux, OSX and Windows systems under Python3 enviroment.

>>> git clone git@github.com:kotori-y/Scopy.git && cd scopy
>>> [sudo] python setup.py install

>>> conda install -c kotori_y scopy

>>> pip install cbdd-scopy

(1)The online version of the documentation is available here: https://scopy.iamkotori.com/
(2)Quick start examples: https://scopy.iamkotori.com/user_guide.html
(3)Application examples(pipelines): https://scopy.iamkotori.com/application.html

If you have questions or suggestions, please contact: kotori@cbdd.me,and oriental-cds@163.com.
Please see the file LICENSE for details about the "MIT" license which covers this software and its associated data and documents.

Thanks to my colleague, Ziyi, for assisting me to complete the writing of document and article.