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I develop open-source software-packages for materials design and quantum computation. Examples include jarvis-tools, alignn, jarvis-tools-notebooks and dlmatreview.
Featured work
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usnistgov/jarvis
About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/@dr_k_ch…
Python 348 -
usnistgov/alignn
Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary
Python 274 -
deepmaterials/dlmatreview
Repository for links to software packages and databases used in deep-learning applications for materials science
TeX 145 -
JARVIS-Materials-Design/jarvis-tools-notebooks
This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/jarvis-tools-notebooks
Jupyter Notebook 90