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GitHub / UCLCheminformatics / ScaffoldGraph

ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold networks and scaffold trees.

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/UCLCheminformatics%2FScaffoldGraph

Stars: 158
Forks: 38
Open Issues: 0

License: mit
Language: Python
Repo Size: 781 KB
Dependencies: 9

Created: over 4 years ago
Updated: about 1 month ago
Last pushed: over 2 years ago
Last synced: about 1 month ago

Topics: cheminformatics, chemistry, computational-chemistry, fragments, hiers, molecules, murcko, networkx, rdkit, scaffold-networks, scaffold-trees, scaffolds

Files
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    Readme
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    Dependencies
    requirements.txt pypi
    setup.py pypi