zadorlab

zadorlab

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zadorlab's repositories

sella

A Python software package for saddle point optimization and minimization of atomic systems.

Language:PythonLicense:NOASSERTIONStargazers:65Issues:11Issues:29

KinBot

Automated reaction pathway search for gas-phase molecules

Language:PythonLicense:NOASSERTIONStargazers:46Issues:9Issues:35

pynta

Pynta - an automated workflow for reaction path exploration on metallic surfaces

Language:PythonLicense:NOASSERTIONStargazers:33Issues:2Issues:1

PESViewer

Depiction of Potential Energy Surfaces

Language:PythonLicense:MITStargazers:9Issues:1Issues:1
Language:PythonLicense:MITStargazers:3Issues:1Issues:7