Shinae Kim's repositories
pynta_workshop_ACS2023
Public dataset for Pynta post processing notebook
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nwchem
NWChem: Open Source High-Performance Computational Chemistry
NOASSERTION000
pynta
Pynta - an automated workflow for reaction path exploration on metallic surfaces
NOASSERTION000
Gaussian-Process
Implementing a Gaussian Process regression model from scratch
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