Skill audit report
Run DFT geometry optimization (minimization or TS search) on a molecular structure using ORCA via SCINE/ReaDuct wrapper.
OpenAgentSkill Trust Score
Skill audit report
Run DFT geometry optimization (minimization or TS search) on a molecular structure using ORCA via SCINE/ReaDuct wrapper.
OpenAgentSkill Trust Score
Skill audit report
Run DFT geometry optimization (minimization or TS search) on a molecular structure using ORCA via SCINE/ReaDuct wrapper.
OpenAgentSkill Trust Score
Skill audit report
Run DFT geometry optimization (minimization or TS search) on a molecular structure using ORCA via SCINE/ReaDuct wrapper.
OpenAgentSkill Trust Score
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
GitHub adoption
INFO62
161 GitHub stars
Stars/forks activity
WARN57
161 stars, 24 forks; issue activity unavailable in current metadata
Recent maintenance
PASS100
5d since push
License clarity
PASS86
MIT
README/SKILL.md completeness
PASS86
Metadata includes enough usage and workflow context
Dependency/runtime risk
WARN54
command execution surface, credential or environment access
Install availability
PASS92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Install command safety
PASS92
standard package or runtime install path
Permission surface
FAIL36
secrets or environment access, shell or command execution
Repository evidence
PASS86
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
Review status
INFO66
AI review data available
Agent Proven outcomes
INFO54
No agent outcome data yet
Checks
Install path
92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Repository
88
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
License
86
MIT
Maintenance
100
5d since push
AI review
55
The SKILL.md excerpt is truncated, but the provided content is comprehensive and well-structured.
README/SKILL.md completeness
86
Usable description available
Dependency risk
54
command execution surface, credential or environment access
Install command safety
92
standard package or runtime install path
Permission surface
36
secrets or environment access, shell or command execution
Stars/forks activity
57
161 stars, 24 forks; issue activity unavailable in current metadata
Adoption
68
161 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.
Compare nearby options
Calculate homolytic and heterolytic bond dissociation energies (BDEs) for all single bonds in a molecule using MLIPs with RDKit fragmentation.
161 Stars · Audit report
Set up and run molecular dynamics simulations of molecules in explicit solvent boxes using Packmol for box construction and MLIPs for dynamics.
161 Stars · Audit report
Generate molecular conformers with RDKit ETKDG, relax with MLIPs, and rank by energy with Boltzmann weighting.
161 Stars · Audit report
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
GitHub adoption
INFO62
161 GitHub stars
Stars/forks activity
WARN57
161 stars, 24 forks; issue activity unavailable in current metadata
Recent maintenance
PASS100
5d since push
License clarity
PASS86
MIT
README/SKILL.md completeness
PASS86
Metadata includes enough usage and workflow context
Dependency/runtime risk
WARN54
command execution surface, credential or environment access
Install availability
PASS92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Install command safety
PASS92
standard package or runtime install path
Permission surface
FAIL36
secrets or environment access, shell or command execution
Repository evidence
PASS86
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
Review status
INFO66
AI review data available
Agent Proven outcomes
INFO54
No agent outcome data yet
Checks
Install path
92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Repository
88
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
License
86
MIT
Maintenance
100
5d since push
AI review
55
The SKILL.md excerpt is truncated, but the provided content is comprehensive and well-structured.
README/SKILL.md completeness
86
Usable description available
Dependency risk
54
command execution surface, credential or environment access
Install command safety
92
standard package or runtime install path
Permission surface
36
secrets or environment access, shell or command execution
Stars/forks activity
57
161 stars, 24 forks; issue activity unavailable in current metadata
Adoption
68
161 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.
Compare nearby options
Calculate homolytic and heterolytic bond dissociation energies (BDEs) for all single bonds in a molecule using MLIPs with RDKit fragmentation.
161 Stars · Audit report
Set up and run molecular dynamics simulations of molecules in explicit solvent boxes using Packmol for box construction and MLIPs for dynamics.
161 Stars · Audit report
Generate molecular conformers with RDKit ETKDG, relax with MLIPs, and rank by energy with Boltzmann weighting.
161 Stars · Audit report
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
GitHub adoption
INFO62
161 GitHub stars
Stars/forks activity
WARN57
161 stars, 24 forks; issue activity unavailable in current metadata
Recent maintenance
PASS100
5d since push
License clarity
PASS86
MIT
README/SKILL.md completeness
PASS86
Metadata includes enough usage and workflow context
Dependency/runtime risk
WARN54
command execution surface, credential or environment access
Install availability
PASS92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Install command safety
PASS92
standard package or runtime install path
Permission surface
FAIL36
secrets or environment access, shell or command execution
Repository evidence
PASS86
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
Review status
INFO66
AI review data available
Agent Proven outcomes
INFO54
No agent outcome data yet
Checks
Install path
92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Repository
88
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
License
86
MIT
Maintenance
100
5d since push
AI review
55
The SKILL.md excerpt is truncated, but the provided content is comprehensive and well-structured.
README/SKILL.md completeness
86
Usable description available
Dependency risk
54
command execution surface, credential or environment access
Install command safety
92
standard package or runtime install path
Permission surface
36
secrets or environment access, shell or command execution
Stars/forks activity
57
161 stars, 24 forks; issue activity unavailable in current metadata
Adoption
68
161 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.
Compare nearby options
Calculate homolytic and heterolytic bond dissociation energies (BDEs) for all single bonds in a molecule using MLIPs with RDKit fragmentation.
161 Stars · Audit report
Set up and run molecular dynamics simulations of molecules in explicit solvent boxes using Packmol for box construction and MLIPs for dynamics.
161 Stars · Audit report
Generate molecular conformers with RDKit ETKDG, relax with MLIPs, and rank by energy with Boltzmann weighting.
161 Stars · Audit report
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
GitHub adoption
INFO62
161 GitHub stars
Stars/forks activity
WARN57
161 stars, 24 forks; issue activity unavailable in current metadata
Recent maintenance
PASS100
5d since push
License clarity
PASS86
MIT
README/SKILL.md completeness
PASS86
Metadata includes enough usage and workflow context
Dependency/runtime risk
WARN54
command execution surface, credential or environment access
Install availability
PASS92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Install command safety
PASS92
standard package or runtime install path
Permission surface
FAIL36
secrets or environment access, shell or command execution
Repository evidence
PASS86
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
Review status
INFO66
AI review data available
Agent Proven outcomes
INFO54
No agent outcome data yet
Checks
Install path
92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Repository
88
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
License
86
MIT
Maintenance
100
5d since push
AI review
55
The SKILL.md excerpt is truncated, but the provided content is comprehensive and well-structured.
README/SKILL.md completeness
86
Usable description available
Dependency risk
54
command execution surface, credential or environment access
Install command safety
92
standard package or runtime install path
Permission surface
36
secrets or environment access, shell or command execution
Stars/forks activity
57
161 stars, 24 forks; issue activity unavailable in current metadata
Adoption
68
161 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.
Compare nearby options
Calculate homolytic and heterolytic bond dissociation energies (BDEs) for all single bonds in a molecule using MLIPs with RDKit fragmentation.
161 Stars · Audit report
Set up and run molecular dynamics simulations of molecules in explicit solvent boxes using Packmol for box construction and MLIPs for dynamics.
161 Stars · Audit report
Generate molecular conformers with RDKit ETKDG, relax with MLIPs, and rank by energy with Boltzmann weighting.
161 Stars · Audit report