lammps-deepmd
lammps-deepmd is a Chemistry & materials skill for AI agents, published by deepmodeling in the deepmd-kit repository on GitHub. Skillspace rates lammps-deepmd C (72/100) and it passed the safety scan; the rating is based on static analysis only.
A tool and knowledge base for running molecular dynamics (MD) simulations in LAMMPS with the DeePMD-kit plugin. It handles input script preparation, ensemble selection (NVE/NVT/NPT), and job execution via `uv` or offline binaries. USE WHEN you need to set up, write, explain, or execute a LAMMPS molecular dynamics simulation using a DeePMD machine learning potential (e.g., `graph.pb`).
- Grade
- C
- Quality
- 72 / 100
- Safety
- Passed
- GitHub stars
- 1,982
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
- 84 / 100
- Maturity
- Packaged: licensed, with a version or references
- Security scan
- No issues found
- License
- LGPL-3.0
- Adoption
- Adopted by 1 other repositories, in 1 collections
- Scope
- Vendor-specific: built around one product. Running LAMMPS with the public DeePMD-kit plugin
Not checked yet
- Not judged on the rubric yet (not a contender in its category)
- No blind task eval yet
- Sibling files (scripts, references) not fetched; security scan covers SKILL.md only
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