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
更新於 1/20/2026
星標
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.
安裝
$ install --globalskills.sh
使用
安裝後，您可以通過在終端運行以下命令來使用此技能：
skills use pymatgen