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在 OpenClaw 中安装
/install pharmaclaw-chemistry-query
功能描述
Chemistry agent skill for PubChem API queries (compound info/properties, structures/SMILES/images, synthesis routes/references) + RDKit cheminformatics (SMIL...
安全使用建议
This skill appears coherent and implements what it claims: PubChem/ChEMBL/PubMed queries plus RDKit-based analysis, drawing, and retrosynthesis. Before installing or running it, consider: (1) it can generate multi-step synthesis routes and contains named reaction templates and experimental conditions — if your organization restricts assistance for lab synthesis, review the content carefully; (2) the OPSIN JAR is downloaded at runtime from a GitHub release but the script verifies a pinned SHA-256 (good practice); (3) the skill runs multiple Python scripts as subprocesses and writes visualization files into a viz directory under the skill — check file-write locations and sanitize any sensitive environment where you run it; and (4) no secrets are required. If you need higher assurance, review the included files (particularly templates.json and rdkit_reaction.py) for content you consider sensitive and run in an isolated environment (container or sandbox).
功能分析
Type: OpenClaw Skill
Name: pharmaclaw-chemistry-query
Version: 2.0.1
The pharmaclaw-chemistry-query bundle is a legitimate chemistry toolkit for PubChem data retrieval and RDKit analysis. It demonstrates strong security practices, including explicit input sanitization (null-byte rejection, length limits) and path traversal protections in scripts like `rdkit_mol.py` and `advanced_chem.py`. While `opsin_name_to_smiles.py` downloads an external JAR file, it implements SHA-256 checksum verification to ensure file integrity, and all subprocess calls are handled using list-based arguments to prevent shell injection.
能力评估
Purpose & Capability
Name/description match the included scripts: PubChem/ChEMBL/PubMed queries, RDKit processing, visualization, retrosynthesis, and reaction templates. Declared external APIs and system dependency (optional Java/OPSIN) are used by the code, and there are no unrelated credentials or surprising binaries requested.
Instruction Scope
SKILL.md instructs use for compound lookups, RDKit analysis, and retrosynthesis, which the scripts implement. It also mentions chaining outputs to a 'pharma-pharmacology-agent' (a usage suggestion rather than an autonomy requirement). The scripts run subprocesses and access only local skill files, call public APIs (PubChem/ChEMBL/NCBI), and write visualizations under a local viz directory; they do not attempt to read or exfiltrate unrelated system files or require secrets.
Install Mechanism
There is no formal install spec; code runs as-is. One runtime behavior worth noting: opsin_name_to_smiles.py will auto-download an OPSIN JAR from a GitHub release on first use. The download is verified with a pinned SHA-256 checksum in the script, reducing risk. No other remote arbitrary downloads or unverified installers are present.
Credentials
The skill declares no required environment variables or credentials and the code does not attempt to access hidden tokens. External APIs used are public (no key required). The lack of requested secrets is proportionate to its stated functionality.
Persistence & Privilege
always is false and the skill does not request permanent system-wide presence or modify other skills' configurations. It writes images/reports into its own viz/scripts directories and runs local subprocesses — expected for this type of tool.
如何使用
- 确保已安装 OpenClaw(本地或 Docker 部署)
- 在对话框中输入安装命令:
/install pharmaclaw-chemistry-query - 安装完成后,直接呼叫该 Skill 的名称或使用
/pharmaclaw-chemistry-query触发 - 根据 Skill 的参数说明提供必要输入,即可获得结构化输出
版本历史
v2.0.1
PharmaClaw drug discovery suite - full agent team launch
v2.0.0
Full release: PubChem + RDKit + retrosynthesis + multi-step synth planning
v1.4.1
v1.4.1: Security hardening — input sanitization, path traversal prevention, null-byte rejection, shell metachar blocking. Addresses VirusTotal suspicious flag.
v1.4.0
v1.4.0: Fixed PubChem SMILES/InChI endpoints, fixed chain_entry HTML entity corruption, fixed BRICS retro string handling, added 15s timeouts, graceful error handling for invalid SMILES, 21 reaction templates, multi-step synthesis planning, comprehensive e2e testing, CLI integration support
v1.0.3
- Initial public release of the skill as a code module (v1.0.3).
- Added all source scripts and resources required for PubChem querying and RDKit-based chemistry analysis.
- Included sample scripts for compound lookup, property calculation, molecular visualization, and retrosynthesis.
- OPSIN auto-download and checksum verification for IUPAC name conversion now documented.
- Expanded install and dependency documentation for Python, Java, and third-party APIs.
- Removed legacy virtual environment configuration file (venv/pyvenv.cfg).
v1.0.2
pharmaclaw-chemistry-query v1.0.2
- Added comprehensive chemistry toolkit combining PubChem API queries and RDKit cheminformatics.
- Supports compound info retrieval, structure visualization, synthesis references, molecular properties, retrosynthesis, reaction simulation, and synthesis planning.
- Includes multi-format data output (JSON, images), name and SMILES resolution, and handling for errors/invalid inputs.
- Structured chaining interface for downstream workflows.
- Thoroughly tested with representative compounds and robust error handling.
- Refer to SKILL.md for usage examples and detailed script documentation.
元数据
常见问题
Pharmaclaw Chemistry Query 是什么?
Chemistry agent skill for PubChem API queries (compound info/properties, structures/SMILES/images, synthesis routes/references) + RDKit cheminformatics (SMIL... 它是一个面向 Claude Code / OpenClaw 的 AI Agent Skill 插件,目前累计下载 823 次。
如何安装 Pharmaclaw Chemistry Query?
在 OpenClaw 或 Claude Code 对话框中运行命令「/install pharmaclaw-chemistry-query」即可一键安装,无需额外配置。
Pharmaclaw Chemistry Query 是免费的吗?
是的,Pharmaclaw Chemistry Query 完全免费,采用 MIT-0 许可证,可自由下载、安装和使用。
Pharmaclaw Chemistry Query 支持哪些平台?
Pharmaclaw Chemistry Query 跨平台运行,可在任意部署了 OpenClaw / Claude Code 的环境中使用(cross-platform)。
谁开发了 Pharmaclaw Chemistry Query?
由 Cheminem(@cheminem)开发并维护,当前版本 v2.0.1。
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