/tools/Scopy
Scopy
kotori-y/Scopy
46 stars13 forksPythonAdded February 4, 2026
summary
Scopy is an integrated Python library that facilitates the screening of undesirable compounds in drug discovery. It includes modules for data preparation, screening filters, and the calculation of molecular properties, making it a valuable tool for designing high-quality chemical libraries.
description
An integrated negative design python library for desirable HTS/VS database design
topics
pythonrdkitcheminformaticsdrug-designcompounds-filterpypi-packageconda-packagesdrug-discovery
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