materials-infomatics

There are 0 repository under materials-infomatics topic.

bobleesj / cif-bond-analyzer
An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.
crystal-structure high-throughput machine-learning materials-infomatics solid-state-chemistry
Language:Python 6
bobleesj / cif-cleaner
An interactive Python script that formats .cif files and sorts them based on tags, supercell size, minimum distance, elements, and more.
cif materials-infomatics crystal-structure easy-to-use interactive-tool
Language:Python 3
bobleesj / composition-analyzer-featurizer
An interactive Python script that generates chemical compositional features and provides tools for filtering, sorting, and merging data.
chemical-formula composition-data featurizer high-throughput materials-infomatics solid-state-chemistry
Language:Python 3

bobleesj / cif-bond-analyzer