MatSimPy (Materials Simulation via Python) is a Python package that used for molecular and materials simulation.

OpenCSP is a comprehensive, open-source Python library for crystal structure prediction and optimization. It provides a flexible framework for exploring and discovering new crystal structures.

USIF is a next-generation file format designed for storing and exchanging atomic structure data with unprecedented efficiency and flexibility.

UniMatSim is a comprehensive simulation framework for materials based on universal potential energy models such as MatterSim, CHGNet, M3GNet, etc.

AetherHub is a data management platform

A DAG-based workflow system with MSONable serialization and Celery support.