jarvis
Materials simulator
An open-source software package for data-driven materials design using atomistic simulations and machine learning techniques.
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/watch?v=2-XHeC8gbeY
311 stars
26 watching
125 forks
Language: Python
last commit: 27 days ago
Linked from 1 awesome list
aiatomistic-simulationsdftlammpsmaterials-informaticsmdmgipytorchquantum-computingscikit-learntensorflowvasp
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