pymatgen-core
CommunityMaster pymatgen core objects and structures.
AuthorHongyu-yu
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Pymatgen core provides the fundamental objects for representing chemistry, lattices, sites, and structures, enabling precise edits, transformations, and serialization for downstream workflows in materials science and computational chemistry.
Core Features & Use Cases
- Core objects: Element, Specie, Composition, Lattice, Site, Structure, Molecule, and oxidation states.
- Transformations and serialization: perform edits, transformations, and Monty-based as_dict serialization for storage and data exchange.
- Use Case: Build a Structure, modify sites, and export to dict or JSON for analysis or sharing.
Quick Start
Create or load a pymatgen Structure, perform edits or transformations, and serialize to a dict for storage.
Dependency Matrix
Required Modules
pymatgen
Components
scriptsreferences
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: pymatgen-core Download link: https://github.com/Hongyu-yu/matsci-ai-skills/archive/main.zip#pymatgen-core Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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