ClawHub

Pharmaclaw Catalyst Design

v1.0.0

Organometallic catalyst recommendation and novel ligand design for drug synthesis reactions. Recommends catalysts (Pd, Ru, Rh, Ir, Ni, Cu, Zr, Fe) for reacti...

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by@cheminem
MIT-0
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LicenseMIT-0 · Free to use, modify, and redistribute. No attribution required.
Security Scan
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Benign
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Benign
high confidence
✓
Purpose & Capability
Name/description align with the included files: a local catalyst database, a recommender script, a chain entry point, and a ligand designer that uses RDKit. The requested functionality (recommend + design) is implemented in the shipped scripts and the database. There are no unrelated credentials, binaries, or external services required by the code.
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Instruction Scope
SKILL.md and the scripts limit operations to reading the local JSON database and generating ligand variants with RDKit. The code does not call external endpoints, open sockets, or read arbitrary system files. Note: the ligand designer suggests potentially hazardous chemical substitutions (e.g., As/arsine replacements) and reaction conditions (pressures, reactive metals) — these are domain-risk issues (lab safety / dual-use) rather than software exfiltration, but users should treat chemical recommendations carefully and validate before any lab work.
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Install Mechanism
There is no install spec (instruction-only + bundled scripts). That is low risk from a code-fetching perspective. However, the ligand_designer.py has an unconditional RDKit import and exits with an error if RDKit is not installed; RDKit is therefore an undeclared runtime dependency. The skill does not auto-install RDKit or any other package, and contains no download/extract behavior.
✓
Credentials
The skill requests no environment variables, credentials, or config paths. All data access is local (the included catalyst_database.json). No broad or unrelated secrets are requested, so environment access is proportional to the stated purpose.
✓
Persistence & Privilege
Skill flags (always, disable-model-invocation) are default/benign; always:false. The skill does not modify other skills or system config. It runs only when invoked and does not request permanent presence or elevated agent-wide privileges.
Assessment
What to consider before installing: - The skill runs locally and uses only the bundled JSON DB and the three scripts; there are no network calls or credential requests in the code as provided. - You must install RDKit yourself for the ligand designer to work (the package is not declared in metadata nor is there an install step). If you install RDKit, do so from a trusted source (conda or the upstream project) because RDKit wheels/conda packages are sizable and complex. - Review the code and outputs before using any recommendations in the lab. The designer suggests chemical substitutions (including arsenic-containing ligands) and reaction conditions that can be hazardous — these are domain-safety concerns, not software security issues. - The skill references "IP Expansion" and patentability in SKILL.md but does not implement patent-checking; if you plan to use this for inventions or filings, validate any legal/IP claims with counsel. - Source provenance is unknown (no homepage). If provenance or license matters to you, ask the publisher for origin and licensing; otherwise treat the code as untrusted third-party code and audit accordingly.

Like a lobster shell, security has layers — review code before you run it.

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License

MIT-0
Free to use, modify, and redistribute. No attribution required.
Termshttps://spdx.org/licenses/MIT-0.html

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