An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.
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Updated
Oct 20, 2024 - Python
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materials-infomatics
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An interactive Python script that generates chemical compositional features and provides tools for filtering, sorting, and merging data.
high-throughput
solid-state-chemistry
chemical-formula
featurizer
materials-infomatics
composition-data
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Updated
Oct 15, 2024 - Python
An interactive Python script that formats .cif files and sorts them based on tags, supercell size, minimum distance, elements, and more.
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Updated
Oct 19, 2024 - Python
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