medchem
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
Applies medicinal chemistry filters for compound triage, using drug-likeness rules (Lipinski, Veber, CNS), structural alert catalogs (PAINS, NIBR, ChEMBL), complexity metrics, and the medchem query language for library filtering.
- Package
- 4 files, 54 KB
- SKILL.md
- 1723 words, 12+ sections
- Code
- Python (1)
- Allowed tools
ReadWriteEditBash- License
- Apache-2.0 license
- Compatibility
- Requires Python 3.11+ with medchem, datamol, and RDKit. Optional Lilly demerits require native tools built with medchem install-lilly, a C++ compiler, make, zlib, and Ruby; installation needs network access. Other filters run locally without credentials.
SKILL.md covers: Medchem · Overview · When to Use This Skill · Installation · Core Capabilities · 1. Medicinal Chemistry Rules · ['rule_of_five', 'rule_of_five_beyond', 'rule_of_four', 'rule_of_three', ...] · Columns: mol, pass_all, pass_any, rule_of_five, rule_of_oprea, ... · 2. Structural Alert Filters · df columns: mol, pass_filter, status, reasons · df columns: mol, pass_filter, status, severity, reasons, n_covalent_motif, special_mol · 3. Named Catalog Filters (PAINS, Brenk, etc.)
Findings
No findings. SAFE
What is in the package
| File | Kind | Size |
|---|---|---|
SKILL.md | doc | 15 KB |
references/api_guide.md | doc | 14 KB |
references/rules_catalog.md | doc | 11 KB |
scripts/filter_molecules.py | script | 13 KB |
External hosts referenced
medchem-docs.datamol.io github.com pubmed.ncbi.nlm.nih.gov arxiv.org doi.org dx.doi.org export.arxiv.org 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.
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-medchem-scan.json
- Badge for your README:
- Request a re-scan