Rapport d’audit du skill
chem-dft-orca-optimization Rapport d’audit.
Run DFT geometry optimization (minimization or TS search) on a molecular structure using ORCA via SCINE/ReaDuct wrapper.
Trust Score OpenAgentSkill
Trust Score OpenAgentSkill
The Trust Score helps an agent decide whether a skill is safe enough to shortlist before installation.
Adoption GitHub
Info62
161 stars GitHub
Activité stars/forks
Avertissement57
161 stars et 24 forks; l’activité des issues n’est pas disponible dans les métadonnées actuelles
Maintenance récente
Validé88
1 mois depuis le dernier push
Clarté de licence
Validé86
MIT
Complétude README/SKILL.md
Validé86
Les métadonnées incluent suffisamment de contexte d’usage et de workflow
Risque dépendances/runtime
Avertissement54
command execution surface, credential or environment access
Disponibilité de l’installation
Validé92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Sécurité de la commande d’installation
Validé92
Chemin d’installation standard de package ou runtime
Surface de permissions
Échoué36
secrets or environment access, shell or command execution
Preuve du dépôt
Validé86
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
État de revue
Info66
Données de revue IA disponibles
Résultats prouvés par Agent
Info54
Pas encore de données de résultats Agent
Vérifications
Revue d’installation et d’adoption
Chemin d’installation
92
npx skills add learningmatter-mit/AtomisticSkills --skill chem-dft-orca-optimization
Dépôt
88
https://github.com/learningmatter-mit/AtomisticSkills/tree/main/.agents/skills/chem-dft-orca-optimization
Licence
86
MIT
Maintenance
88
1 mois depuis le dernier push
Revue IA
55
The SKILL.md excerpt is truncated, but the provided content is comprehensive and well-structured.
Complétude README/SKILL.md
86
Usable description available
Risque de dépendances
54
command execution surface, credential or environment access
Sécurité de la commande d’installation
92
Chemin d’installation standard de package ou runtime
Surface de permissions
36
secrets or environment access, shell or command execution
Activité stars/forks
57
161 stars et 24 forks; l’activité des issues n’est pas disponible dans les métadonnées actuelles
Adoption
68
161 stars GitHub
Financial decision safety
58
Research-only use: do not treat output as financial advice or execute a position without human approval.
Avertissements
- Dependency or permission surface needs review
- Permission surface may require sandboxing
- Financial research output is not financial advice; require human review before any live investment decision
- The SKILL.md excerpt is truncated, but the provided content is comprehensive and well-structured.
- The skill depends on external software (ORCA, SCINE) and a specific conda environment, which may limit portability but is clearly documented.
- Financial research output is not financial advice; require human review before any live investment decision.
- Quality score needs review
- Permission surface needs review: secrets or environment access, shell or command execution
- Stars/forks activity: 161 stars, 24 forks; issue activity unavailable in current metadata
- Dependency/runtime risk: command execution surface, credential or environment access
- Permission surface: secrets or environment access, shell or command execution
Méthode
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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