materials-science

#计算机科学#Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

翻译 - 在药物发现，量子化学，材料科学和生物学方面普及深度学习

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Pro...

翻译 - Python Materials Genomics（pymatgen）是强大的材料分析代码，它定义了结构和分子的核心对象表示形式，并支持许多电子结构代码。当前，它是为材料项目提供动力的核心分析代码。

Data mining for materials science

翻译 - 材料科学的数据挖掘

#计算机科学#MatDGL 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.