OpenAgentSkill Registry Manifest
Skill: dpdata-cli
Slug: jinzhezenggroup-dpdata-cli
Category: data-analysis
Description: 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, CP2K, ABACUS, etc.). USE WHEN you need to convert structural or trajectory files between different computational chemistry formats, or when parsing raw simulation outputs into structured training datasets (e.g., deepmd/raw, deepmd/npy, deepmd/hdf5) for DeePMD-kit.

Agent fit:
- Decision: 67/100 Prototype first
- Primary fit: GitHub automation
- Role: Fallback candidate

Supply profile:
- Track: Coding and developer agents
- Scenario: GitHub automation
- Applicable agents: Claude Code, CLI, Codex, Cursor
- Maintenance: 1d since push
- Risk: Needs review

Trust:
- Trust score: 78/100 Strong shortlist
- Audit: 81/100 Needs review

Attribution:
- Status: Registry indexed
- Source: github fast track
- Creator: jinzhezenggroup
- Claim URL: https://www.openagentskill.com/skills/jinzhezenggroup-dpdata-cli#claim-this-skill

Install:
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli

URLs:
- Web: https://www.openagentskill.com/skills/jinzhezenggroup-dpdata-cli
- API: https://www.openagentskill.com/api/agent/skills/jinzhezenggroup-dpdata-cli
- Install API: https://www.openagentskill.com/api/skills/jinzhezenggroup-dpdata-cli/install
- Repository: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli