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datamol

A Pythonic wrapper around RDKit with simplified interfaces and sensible defaults. Preferred for standard drug discovery workflows including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformer generation, and parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.

52

Quality

60%

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SecuritybySnyk

Low

Low-risk findings worth noting

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tessl review fix ./scientific-skills/Other/datamol/SKILL.md
SKILL.md
Quality
Evals
Security

Low

Low-risk findings.

1 low severity finding. Worth noting, but not necessarily harmful.

Low

W011: Third-party content exposure detected (indirect prompt injection risk).

What this means

The skill exposes the agent to untrusted, user-generated content from public third-party sources, creating a risk of indirect prompt injection. This includes browsing arbitrary URLs, reading social media posts or forum comments, and analyzing content from unknown websites.

Why it was flagged

The required workflow ingests external SDF, CSV, Excel, and remote web/cloud molecule data files which may contain outsider-authored free text or data entries.

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Repository
aipoch/medical-research-skills
Audited
Security analysis
Snyk

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