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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
K-Dense-AI
์
๋ฐ์ดํธ๋จ 1/16/2026
์คํ
6603
ํฌํฌ
786
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.
์ค์น
$ install --globalskills.sh
์ฌ์ฉ๋ฒ
์ค์น ํ ํฐ๋ฏธ๋์์ ๋ค์ ๋ช ๋ น์ ์คํํ์ฌ ์ด ์คํฌ์ ์ฌ์ฉํ ์ ์์ต๋๋ค:
skills use pymatgen