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OpenFreeEnergy
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konnektor
Algorithms for various Network Layouts and Tooling for planning FE Calculations
https://konnektor.readthedocs.io/
MIT License
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implement Scaffold Clustering
#20
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RiesBen
closed
5 months ago
RiesBen
commented
8 months ago
This is one clustering approach.
Content:
Paper:
https://pubmed.ncbi.nlm.nih.gov/32584031/
JNB example:
https://github.com/greglandrum/rdkit_blog/blob/master/notebooks/Scaffold%20Network%20-%20Interactive%20Views%20and%20Exploring%20the%20Options.ipynb
This is one clustering approach.
Content: