datamol
No security findings. Scanned 1 time, most recently 2026-10-21.
Second scanner: NVIDIA SkillSpector
SkillSpector found no issues but could not fully inspect the package, usually because SKILL.md refers to a file that is not present, so it fails closed to CAUTION instead of SAFE. Read it as "not fully checked", not as a finding. How the two scanners compare across the whole corpus: Two scanners, one corpus.
What this skill does
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.
- Package
- 10 files, 55 KB
- SKILL.md
- 1271 words, 12+ sections
- Code
- None. Instructions only.
- Allowed tools
ReadWriteEditBash- License
- Apache-2.0 license
- Compatibility
- Requires Python 3.11+ and datamol 0.13.0 with RDKit 2024.09+. Installation needs network access; local molecular workflows need no credentials. Remote I/O needs the selected provider credentials.
SKILL.md covers: Datamol Cheminformatics Skill · Overview · Installation and Setup · Core Workflows · Parallelization · Reference Documentation · Best Practices · Error Handling · Safe molecule creation · Safe batch processing · Integration with Machine Learning · Use the same fingerprint schema for training and held-out molecules.
Findings
No findings. SAFE
What is in the package
| File | Kind | Size |
|---|---|---|
SKILL.md | doc | 11 KB |
references/conformers_module.md | doc | 4.5 KB |
references/core_api.md | doc | 4.7 KB |
references/core_workflows.md | doc | 8.8 KB |
references/descriptors_viz.md | doc | 4.7 KB |
references/fragments_scaffolds.md | doc | 4.2 KB |
references/io_module.md | doc | 4.5 KB |
references/reactions_data.md | doc | 4.3 KB |
references/review.md | doc | 3.3 KB |
references/workflow_patterns.md | doc | 5.3 KB |
External hosts referenced
docs.datamol.io github.com arxiv.org doi.org export.arxiv.org pypi.org www.rdkit.org
Hostnames that appear in the skill's files. Referencing a host is not a finding; compare against the findings above and the skill's stated purpose.
Package contents recorded 2026-10-22 at commit 593377bb0487. The scan above ran against the version current at scan time; the two can differ if the skill has since been updated.
What we checked
- Static analyzer. Pattern rules over SKILL.md and bundled files: known-bad commands, exfiltration URLs, secrets, obfuscation.
- Bytecode analyzer.
- Pipeline analyzer.
- Correlation analyzer.
- Behavioral analyzer. Checks what the skill asks the agent to do against what its description claims it does.
- Trigger analyzer. Looks for instructions that fire on conditions the user did not ask for.
What we did not check
- Runtime behaviour. The skill was not executed; findings come from reading its files.
- Anything fetched at install or run time, including remote scripts, package dependencies, and URLs the skill tells the agent to open.
- Content the analyzers cannot read: images, binaries, and some non-English text.
- Known scanner bypass classes. See the methodology and limitations page.
Sources
- Repository: https://github.com/K-Dense-AI/scientific-agent-skills
- Raw scan result: skills-datamol-scan.json
- Badge for your README:
- Request a re-scan