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Using Python structural pattern matching effectively. ... analysis. New Python projects to watch and try. Jun 13, 2025 3 mins. how-to. Get started with the new Python Installation Manager.
By using the CSD analyses through the CSD Python API you can fully customize and automate analyses in a reproducible way, ... Researchers who need to search, filter, and prepare structural chemistry ...
The structural analysis and reduction proceed analogously to FBA, ... G. Python Reference Manual, Technical Report CS-R9525 Centrum voor Wiskunde en Informatica (1995).
Analysing the world's structural chemistry data with the CSD Python API – programmatic, rapid ... Researchers who need to search, filter, and prepare structural chemistry data in bulk ahead of ML or ...