datamol
Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug discovery including SMILES parsing, standardization, descriptors, fingerprints, clustering, 3D conformers, parallel processing. Returns native rdkit.Chem.Mol objects. For advanced control or custom parameters, use rdkit directly.
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Low
Low-risk findings worth noting
Fix and improve this skill with Tessl
tessl review fix ./skills/datamol/SKILL.mdW011: 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 workflow reads external molecule/data files from local paths, cloud storage, or URLs (such as SDF, CSV, or SMILES files via fsspec), which can contain outsider-authored molecule names, properties, or text payloads when sourced from untrusted locations.
- Repository
- K-Dense-AI/scientific-agent-skills
- Commit
9cf7d9a
- Audited
- Security analysis
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