Material Informatics Python Packages

molcrys-kit

MolCrysKit is a Python toolkit for handling molecular crystals / organic-inorganic crystals, providing utilities for parsing crystallographic data, identifying molecules within crystals, and performing various analyses on molecular crystals.

maiml-domain

Python domain models for MaiML (JIS K 0200 / MaiML-Schema-1_0), providing a shared data model for MaiML SDKs and tools.

pymaiml

A Python SDK for working with MaiML (JIS K 0200 / Measurement Analysis Instrument Markup Language) in Python.

supermat

Superconductors material dataset