PhD student at Indiana University studying computational chemistry
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karateclub
karateclub PublicForked from jamesvrt/karateclub
Karate Club: An API Oriented Open-source Python Framework for Unsupervised Learning on Graphs (CIKM 2020)
Python
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FEATHER
FEATHER PublicForked from benedekrozemberczki/FEATHER
The reference implementation of FEATHER from the CIKM '20 paper "Characteristic Functions on Graphs: Birds of a Feather, from Statistical Descriptors to Parametric Models".
Python
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xyz2mol
xyz2mol PublicForked from jensengroup/xyz2mol
Converts an xyz file to an RDKit mol object
Python
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