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naik-aakash authored Jan 8, 2024
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Expand Up @@ -45,8 +45,8 @@ relevant bonds. Additionally, bonding-based features for machine-learning (ML) s
"featurize" and "structuregraphs". Alongside its Python interface, it also provides an easy-to-use command line
interface (CLI) that runs automatic analysis of the computations and generates a summary of results and publication-ready figures.

_LobsterPy_ has been used to produce the results in [@ngo2023dft; @morgan2023structures; @naik2023quantumchemical] and also is part of
[@atomate2] bonding analysis workflow as part of data generation.
_LobsterPy_ has been used to produce the results in [@ngo2023dft; @morgan2023structures; @naik2023quantumchemical] and is also part of
[@atomate2] bonding analysis workflow for generating bonding analysis summaries.

# Statement of need
Although notion of "bonds" might seem unusual from a physicist's point of view, chemists have been employing it routinely to
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