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computational-chemistry
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3 search results found
Overreact
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45
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
Aarontools.py
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33
Python tools for automating routine tasks encountered when running quantum chemistry computations.
Overreact Guide
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6
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
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