Skill audit report
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.
Skill audit report
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.
Skill audit report
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.
Skill audit report
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.
OpenAgentSkill Trust Score
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
GitHub adoption
INFO62
135 GitHub stars
Stars/forks activity
WARN57
135 stars, 27 forks; issue activity unavailable in current metadata
Recent maintenance
PASS100
1d since push
License clarity
PASS86
LGPL-3.0
README/SKILL.md completeness
PASS86
Metadata includes enough usage and workflow context
Dependency/runtime risk
INFO72
command execution surface
Install availability
PASS92
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli
Install command safety
PASS92
standard package or runtime install path
Permission surface
INFO62
shell or command execution, filesystem or document access
Repository evidence
PASS86
https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli
Review status
PASS88
AI review data available
Agent Proven outcomes
INFO54
No agent outcome data yet
Checks
Install path
92
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli
Repository
88
https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli
License
86
LGPL-3.0
Maintenance
100
1d since push
AI review
88
Approved with no listed issues
README/SKILL.md completeness
86
Usable description available
Dependency risk
72
command execution surface
Install command safety
92
standard package or runtime install path
Permission surface
62
shell or command execution, filesystem or document access
Stars/forks activity
57
135 stars, 27 forks; issue activity unavailable in current metadata
Adoption
68
135 GitHub stars
Financial decision safety
58
Research-only use: do not treat output as financial advice or execute a position without human approval.
Warnings
Method
This report combines public metadata, AI review output, repository freshness, install readiness, OpenAgentSkill events, quality scoring, trust checks, and the agent safety gate. It is not a full source-code security review.
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OpenAgentSkill Trust Score
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
GitHub adoption
INFO62
135 GitHub stars
Stars/forks activity
WARN57
135 stars, 27 forks; issue activity unavailable in current metadata
Recent maintenance
PASS100
1d since push
License clarity
PASS86
LGPL-3.0
README/SKILL.md completeness
PASS86
Metadata includes enough usage and workflow context
Dependency/runtime risk
INFO72
command execution surface
Install availability
PASS92
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli
Install command safety
PASS92
standard package or runtime install path
Permission surface
INFO62
shell or command execution, filesystem or document access
Repository evidence
PASS86
https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli
Review status
PASS88
AI review data available
Agent Proven outcomes
INFO54
No agent outcome data yet
Checks
Install path
92
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli
Repository
88
https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli
License
86
LGPL-3.0
Maintenance
100
1d since push
AI review
88
Approved with no listed issues
README/SKILL.md completeness
86
Usable description available
Dependency risk
72
command execution surface
Install command safety
92
standard package or runtime install path
Permission surface
62
shell or command execution, filesystem or document access
Stars/forks activity
57
135 stars, 27 forks; issue activity unavailable in current metadata
Adoption
68
135 GitHub stars
Financial decision safety
58
Research-only use: do not treat output as financial advice or execute a position without human approval.
Warnings
Method
This report combines public metadata, AI review output, repository freshness, install readiness, OpenAgentSkill events, quality scoring, trust checks, and the agent safety gate. It is not a full source-code security review.
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OpenAgentSkill Trust Score
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
GitHub adoption
INFO62
135 GitHub stars
Stars/forks activity
WARN57
135 stars, 27 forks; issue activity unavailable in current metadata
Recent maintenance
PASS100
1d since push
License clarity
PASS86
LGPL-3.0
README/SKILL.md completeness
PASS86
Metadata includes enough usage and workflow context
Dependency/runtime risk
INFO72
command execution surface
Install availability
PASS92
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli
Install command safety
PASS92
standard package or runtime install path
Permission surface
INFO62
shell or command execution, filesystem or document access
Repository evidence
PASS86
https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli
Review status
PASS88
AI review data available
Agent Proven outcomes
INFO54
No agent outcome data yet
Checks
Install path
92
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli
Repository
88
https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli
License
86
LGPL-3.0
Maintenance
100
1d since push
AI review
88
Approved with no listed issues
README/SKILL.md completeness
86
Usable description available
Dependency risk
72
command execution surface
Install command safety
92
standard package or runtime install path
Permission surface
62
shell or command execution, filesystem or document access
Stars/forks activity
57
135 stars, 27 forks; issue activity unavailable in current metadata
Adoption
68
135 GitHub stars
Financial decision safety
58
Research-only use: do not treat output as financial advice or execute a position without human approval.
Warnings
Method
This report combines public metadata, AI review output, repository freshness, install readiness, OpenAgentSkill events, quality scoring, trust checks, and the agent safety gate. It is not a full source-code security review.
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OpenAgentSkill Trust Score
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
GitHub adoption
INFO62
135 GitHub stars
Stars/forks activity
WARN57
135 stars, 27 forks; issue activity unavailable in current metadata
Recent maintenance
PASS100
1d since push
License clarity
PASS86
LGPL-3.0
README/SKILL.md completeness
PASS86
Metadata includes enough usage and workflow context
Dependency/runtime risk
INFO72
command execution surface
Install availability
PASS92
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli
Install command safety
PASS92
standard package or runtime install path
Permission surface
INFO62
shell or command execution, filesystem or document access
Repository evidence
PASS86
https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli
Review status
PASS88
AI review data available
Agent Proven outcomes
INFO54
No agent outcome data yet
Checks
Install path
92
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dpdata-cli
Repository
88
https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/data-processing/dpdata-cli
License
86
LGPL-3.0
Maintenance
100
1d since push
AI review
88
Approved with no listed issues
README/SKILL.md completeness
86
Usable description available
Dependency risk
72
command execution surface
Install command safety
92
standard package or runtime install path
Permission surface
62
shell or command execution, filesystem or document access
Stars/forks activity
57
135 stars, 27 forks; issue activity unavailable in current metadata
Adoption
68
135 GitHub stars
Financial decision safety
58
Research-only use: do not treat output as financial advice or execute a position without human approval.
Warnings
Method
This report combines public metadata, AI review output, repository freshness, install readiness, OpenAgentSkill events, quality scoring, trust checks, and the agent safety gate. It is not a full source-code security review.
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