7 projects
diffpy.srmise
Peak extraction and peak fitting tool for atomic pair distribution functions.
cifkit
A Python package for coordination geometry and atomic site analysis.
structure-analyzer-featurizer
Python package to generate geometric features of interatomic distances, atomic environment information, and coordination numbers from a folder containing .cif files.
bobleesj.utils
Python package for sharing utility functions and classes in materials informatics.
composition-analyzer-featurizer
Python package for generating compositional features for binary, ternary, and quaternary formulas with Oliynyk elemental properties.
bobleesj.release
Python package for doing science.
bobtwine
None
