pymatgen-structure
jinzhezenggroup
Structure manipulation and crystal analysis workflows based on pymatgen. USE WHEN you need to read/write common atomistic formats (CIF, POSCAR, XYZ), build supercells, p…
ResearchClaude Code
135GitHub
OPENAGENTSKILL / DIRECTORY
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Results · “atom”
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Results: 21
openbabel
jinzhezenggroup
A versatile CLI tool for converting molecular file formats, generating 3D atomic coordinates from SMILES, rendering 2D chemical structure images, and preparing or extrac…
DesignClaude Code
135GitHub
dpdata-cli
jinzhezenggroup
A command-line utility for converting and manipulating over 50 atomic simulation data formats, including outputs from DFT and MD software (VASP, LAMMPS, Gaussian, QE, CP…
DataClaude Code
135GitHub
rss-parser
dhvcc
Parse RSS 2.0/0.9x, Atom 1.0, RSS 1.0 (RDF) and podcast (itunes:*) feeds in Python into typed pydantic v2 models with the `rss-parser` package. Use this skill whenever a…
DesignClaude Code
54GitHub
relax
jinzhezenggroup
Prepare ASE geometry-optimization workflow tasks with backend-agnostic controls. Use when the user needs structural relaxation while selecting optimizer, convergence tar…
AutomationClaude Code
135GitHub
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