Lightflow is a powerful, lightweight, and distributed workflow orchestration system written in Python.
最近更新: 3个月前Material Model Management System - A comprehensive platform for managing datasets, ML models, and workflows for materials science research.
最近更新: 3个月前USIF is a next-generation file format designed for storing and exchanging atomic structure data with unprecedented efficiency and flexibility.
最近更新: 3个月前OpenCSP is a comprehensive, open-source Python library for crystal structure prediction and optimization. It provides a flexible framework for expl...
最近更新: 3个月前MatSimPy (Materials Simulation via Python) is a Python package that used for molecular and materials simulation.
最近更新: 3个月前A usefull tool to to calculate the mechanics properties of two dimenional material.
最近更新: 2年前A collection of toolkits for preparing and quering the data of matvird database.
最近更新: 3年多前Maptool (Material Project Tool) is an open source python package for pre- and post- process input and output of first principles simulation softwar...
最近更新: 3年多前Useful queue system for submiting, inspecting and controling tasks on PBS, SLURM and LSF system.
最近更新: 3年多前