Beast code in Giters

Danila Shiryaev's starred repositories

cifkit

High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/

Language:PythonMIT1100

structure-analyzer-featurizer

An interactive Python application for generating geometric features of interatomic distances, atomic environment information, and coordination numbers from .cif files

Language:PythonMIT700

composition-analyzer-featurizer

An interactive Python script that generates chemical compositional features and provides tools for filtering, sorting, and merging data.

Language:PythonMIT300

cif-bond-analyzer

An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.

Language:PythonMIT600

Atom2Vec

Atom2Vec: a simple way to describe atoms for machine learning

Language:Python3200

jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ

Language:PythonNOASSERTION29400

cif-cleaner

An interactive Python script that formats .cif files and sorts them based on tags, supercell size, minimum distance, elements, and more.

Language:PythonMIT300

CBFV

Tool to quickly create a composition-based feature vector

Language:Python2300