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ai-science-training-series
ai-science-training-series PublicForked from argonne-lcf/ai-science-training-series
Jupyter Notebook
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mpmorph
mpmorph PublicForked from materialsproject/mpmorph
MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the M…
Python
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atomate2
atomate2 PublicForked from materialsproject/atomate2
atomate2 is a library of computational materials science workflows
Python
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