home/categories/computational-chemistry/davila7-claude-code-templates-cli-tool-components-skills-scientific-pymatgen-skill-md
computational-chemistryresearch
pymatgen
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
maintainer
davila7
更新于 2026/1/20
星标
17577
分支
1576
quick start
Installation and usage
Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.
安装
$ install --globalskills.sh
使用
安装后，您可以通过在终端运行以下命令来使用此技能：
skills use pymatgen