A python-based engine for computational chemistry calculations
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Oct 2, 2023 - Python
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dftbplus
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The Simple Python Computational Chemistry Interface (SPyCCI) provides a simple interface to run calculation and analysis using a wide range of computational chemistry softwares.
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Aug 10, 2023 - Python
CrewP is creeping with IO of computational electronic structure packages.
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Apr 6, 2021 - Python
A plug-in for DFTB+ in a SEAMM flowchart
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Oct 20, 2024 - Python
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