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1. ORCA-tools ORCA-tools Public

   These are important tools written by me for working with ORCA (a computational chemistry open source package) in a super-computing environment. They include multiple job submission scripts (BASH), …

   Python

2. CatLearn CatLearn Public

   Forked from SUNCAT-Center/CatLearn

   A machine learning environment for atomic-scale modeling in surface science and catalysis.

   Jupyter Notebook

3. the-unix-workbench the-unix-workbench Public

   Forked from seankross/the-unix-workbench

   🏡 A Book for Anyone to Get Started with Unix

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4. my-first-repo my-first-repo Public

5. qmpy qmpy Public

   Forked from wolverton-research-group/qmpy

   A suite of computational materials science tools.

   Python

6. dft-book dft-book Public

   Forked from jkitchin/dft-book

   A book on modeling materials using VASP, ase and vasp

   Python