Pinned Repositories
karateclub
Karate Club: An API Oriented Open-source Python Framework for Unsupervised Learning on Graphs (CIKM 2020)
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".
gcn_ip_tests
karateclub
Karate Club: An API Oriented Open-source Python Framework for Unsupervised Learning on Graphs (CIKM 2020)
RootedCBH_pka
scripts for running QM/ML model for pKa prediction
sarmaier
Config files for my GitHub profile.
xyz2mol
Converts an xyz file to an RDKit mol object
sarmaier's Repositories
sarmaier/RootedCBH_pka
scripts for running QM/ML model for pKa prediction
sarmaier/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".
sarmaier/gcn_ip_tests
sarmaier/karateclub
Karate Club: An API Oriented Open-source Python Framework for Unsupervised Learning on Graphs (CIKM 2020)
sarmaier/sarmaier
Config files for my GitHub profile.
sarmaier/xyz2mol
Converts an xyz file to an RDKit mol object