Danila Shiryaev's starred repositories
structure-analyzer-featurizer
An interactive Python application for generating geometric features of interatomic distances, atomic environment information, and coordination numbers from .cif files
composition-analyzer-featurizer
An interactive Python script that generates chemical compositional features and provides tools for filtering, sorting, and merging data.
cif-bond-analyzer
An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.
cif-cleaner
An interactive Python script that formats .cif files and sorts them based on tags, supercell size, minimum distance, elements, and more.