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Orion Cohen's Projects

atomate icon atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

atomate2 icon atomate2

atomate2 is a library of computational materials science workflows

crystaltoolkit icon crystaltoolkit

Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules, including a suite of reusable web components to make your own materials science web apps. Project led by @mkhorton.

custodian icon custodian

A simple, robust and flexible just-in-time job management framework in Python.

emmet icon emmet

Be a master builder of databases of material properties. Avoid the Kragle.

intermol icon intermol

Conversion tool for molecular simulations

jobflow icon jobflow

jobflow is a library for writing computational workflows.

mdanalysis icon mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

mrnet icon mrnet

Mr. Network is a python reaction-network for molecular systems

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