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JIHA6's Projects

atomate icon atomate

atomate is a powerful software for computational materials science and contains pre-built workflows.

crystalnetwork icon crystalnetwork

GrysNet is a neural network package that allows researchers to train custom models for crystal modeling tasks. It aims to accelerate the research and application of material science.

custodian icon custodian

A simple, robust and flexible just-in-time job management framework in Python.

elastool icon elastool

A toolkit for automatic calculation and analysis of elastic constants

elate icon elate

ELATE: Elastic tensor analysis

elatools icon elatools

ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials

howtocook icon howtocook

程序员在家做饭方法指南。Programmer's guide about how to cook at home (Chinese only).

matgenb icon matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

mechelastic icon mechelastic

A Python library to calculate elastic properties of materials.

pymatgen icon pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

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