Automate crystal structure manipulation and DFT/MD input generation.
npx skills add https://github.com/Hello-QM/catgo-LRG --skill catgo
Please help me install this Agent Skill. Skill: catgo Source: https://github.com/Hello-QM/catgo-LRG/tree/main/.gemini/skills/catgo Command: npx skills add https://github.com/Hello-QM/catgo-LRG --skill catgo
CatGO helps researchers automate the creation and analysis of crystal structures, streamline input generation for simulations, and visualize workflows in a single toolkit.
Load a crystal structure and generate DFT/MD inputs using CatGO tools.
High-intent search queries and answers about installing and using this skill.
CatGO automates structure manipulation and property analysis for materials by applying deterministic operations to crystal design, DFT/MD input generation, and electronic property workflows across HPC environments.
Generating DFT and MD inputs is best handled by loading a validated crystal structure into CatGO, which automates input creation and provides deterministic operations with clear post-operation summaries for HPC submissions.
Yes, CatGO supports vibrational and electronic property analysis within HPC environments by applying deterministic operations to validated inputs, providing clear post-operation summaries for your research workflows.
Yes, building and modifying nanostructures requires CatGO MCP tools and validated inputs to execute deterministic structure manipulation operations and provide clear post-operation summaries.
CatGO handles workflow visualization and HPC submission management by automating structure manipulation and property analysis, enabling researchers to visualize workflows and manage HPC submissions within a single validated toolkit.
jkitchinQuery materials data from AFLOW and Materials Project databases.
tondevrelBuild, manipulate, and analyze atomic structures for atomistic simulations.
Lord1EgyptAnalyze crystal structures and construct phase diagrams with pymatgen.
jaechang-hitsAnalyze crystal structures and query DFT properties via the Materials Project API.
