Topological Characterization of Metal–Organic Frameworks: A Perspective

Glasby, Lawson T.; Cordiner, Joan L.; Cole, Jason C.; Moghadam, Peyman Z.

doi:10.1021/acs.chemmater.4c00762

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2024

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Cited by 2 publications

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References 92 publications

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“…New languages are coming into the ecosystem which try to tackle some of the challenges faced; for example, the language Julia is designed to provide scripting-like behaviour but with compiled language speed. We have noted (Glasby et al, 2024) that this speed can be very advantageous in some endeavours. Future developments in the cheminformatics community will probably see increased adoption of such languages, in particular to give better support to high-performance computing tasks.…”

Section: Discussionmentioning

confidence: 99%

What has scripting ever done for us? The CSD Python application programming interface (API)

Sykes,

Johnson,

Kingsbury

et al. 2024

J Appl Crystallogr

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Since its first release in 2016, the Cambridge Structural Database Python application programming interface (CSD Python API) has seen steady uptake within the community that the Cambridge Crystallographic Data Centre serves. This article reviews the history of scripting interfaces, demonstrating the need, and then briefly outlines the technical structure of the API. It describes the reach of the CSD Python API, provides a selected review of its impact and gives some illustrative examples of what scientists can do with it. The article concludes with speculation as to how such endeavours will evolve over the next decade.

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Section: Discussionmentioning

confidence: 99%