UniMatSim is a comprehensive simulation framework for materials based on universal potential energy models such as MatterSim, CHGNet, M3GNet, etc.
A flexible and easy-to-use job dispatcher for HPC environments. UniQueue provides a unified interface for submitting and managing jobs across different queue systems (SLURM, PBS, LSF, OGS, Shell).
MatSimPy (Materials Simulation via Python) is a Python package that used for molecular and materials simulation.
UniFlow extension for file system operations and local file storage backends.
UniFlow extension for VASP (Vienna Ab initio Simulation Package) workflows for materials science.
USIF is a next-generation file format designed for storing and exchanging atomic structure data with unprecedented efficiency and flexibility.
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.
Material Model Management System - A comprehensive platform for managing datasets, ML models, and workflows for materials science research.
Lightflow is a powerful, lightweight, and distributed workflow orchestration system written in Python.
Material Model Management System - A comprehensive platform for managing datasets, ML models, and workflows for materials science research.
USIF is a next-generation file format designed for storing and exchanging atomic structure data with unprecedented efficiency and flexibility.
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.
MatSimPy (Materials Simulation via Python) is a Python package that used for molecular and materials simulation.
