molfeat
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
Featurizes small molecules with Molfeat for QSAR/QSPR, chemical similarity, virtual screening, and molecular ML. Covers ECFP/MACCS fingerprints, RDKit descriptors, pharmacophores, pretrained embeddings, configuration persistence, and molecule-to-label alignment.
- Package
- 5 files, 32 KB
- SKILL.md
- 1074 words, 12+ sections
- Code
- None. Instructions only.
- Allowed tools
ReadWriteEditBash- License
- Apache-2.0 license
- Compatibility
- Requires Python 3.11+ and molfeat 1.0.0 (RDKit, datamol, PyTorch). macOS Intel needs Python 3.11–3.12 and upstream platform-specific dependency pins. Optional extras and network access are needed for pretrained models; core fingerprints run offline.
SKILL.md covers: Molfeat — Small-molecule featurization · When to use · Installation · Workflow · Fingerprint baseline and invalid records · Configuration round trip · Pretrained embeddings · First inference downloads/loads the model. · embeddings = embedder(["CCO", "c1ccccc1"]) · Select and discover representations · Performance and reproducibility · Sources and verification
Findings
No findings. SAFE
What is in the package
| File | Kind | Size |
|---|---|---|
SKILL.md | doc | 9.3 KB |
references/api_reference.md | doc | 7.2 KB |
references/available_featurizers.md | doc | 5.0 KB |
references/choosing_a_featurizer.md | doc | 4.9 KB |
references/examples.md | doc | 5.3 KB |
External hosts referenced
github.com arxiv.org doi.org export.arxiv.org fs.molfeat.datamol.io huggingface.co pypi.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.
Environment variables referenced
MOLFEAT_MODEL_STORE_ROOT
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-molfeat-scan.json
- Badge for your README:
- Request a re-scan