gpumdkit-main
gpumdkit-main is a Chemistry & materials skill for AI agents, published by zhyan0603 in the GPUMDkit repository on GitHub. Skillspace rates gpumdkit-main F (52/100) and it passed the safety scan; the rating is based on static analysis only.
Use when working with GPUMD molecular dynamics or NEP potentials for computational materials science. Provides format conversion, structure analysis, visualization, calculation tools, and workflow automation. Supports VASP, LAMMPS, CP2K, ABACUS, CIF, and extxyz formats. Use when user asks about: molecular dynamics, NEP training, structure conversion, ionic conductivity, radial distribution function, mean square displacement, thermal conductivity, phonon DOS, structure sampling, farthest point sampling, or computational materials analysis.
- Grade
- F
- Quality
- 52 / 100
- Safety
- Passed
- GitHub stars
- 162
Unproven: rated by static analysis only, not yet compared head-to-head.
This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.
Our review
- Architecture
- 78 / 100
- Maturity
- Basic: a single SKILL.md
- Security scan
- Low-risk patterns
- License
- GPL-3.0
- Adoption
- Adopted by 0 other repositories, in 0 collections
What the scanner flagged
- over-broad allowed-tools ('*')
Not checked yet
- Not judged on the rubric yet (not a contender in its category)
- No blind task eval yet
- Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
- Sibling files (scripts, references) not fetched; security scan covers SKILL.md only
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