Pinned Repositories
Gaussian-Process
Implementing a Gaussian Process regression model from scratch
nwchem
NWChem: Open Source High-Performance Computational Chemistry
pynta
Pynta - an automated workflow for reaction path exploration on metallic surfaces
pynta_workshop_ACS2023
Public dataset for Pynta post processing notebook
pynta
Pynta - an automated workflow for reaction path exploration on metallic surfaces
sakim8048's Repositories
sakim8048/Gaussian-Process
Implementing a Gaussian Process regression model from scratch
sakim8048/nwchem
NWChem: Open Source High-Performance Computational Chemistry
sakim8048/pynta
Pynta - an automated workflow for reaction path exploration on metallic surfaces
sakim8048/pynta_workshop_ACS2023
Public dataset for Pynta post processing notebook