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SMILES Profiling

作者 Hendrik Schmitz · GitHub ↗ · v1.2.0 · MIT-0
cross-platform ⚠ suspicious
127
总下载
0
收藏
0
当前安装
3
版本数
在 OpenClaw 中安装
/install smiles-profiling
功能描述
Comprehensive SMILES profiling through SwissTargetPrediction, PubChem, ADMETlab 3.0, ChEMBL, and PK-Smart. Use when given a single SMILES to extract predicte...
安全使用建议
This skill appears to do what it says (send a SMILES string to public cheminformatics services and aggregate results), but be aware of two practical risks: (1) the included Python scripts rely on third‑party packages (websockets, google.protobuf, etc.) but the skill provides no install or dependency manifest — installation may fail or require ad-hoc package installs; (2) the skill sends the SMILES (which may be proprietary or sensitive) to multiple external services over the network (PubChem, SwissTargetPrediction, ADMETlab, ChEMBL, PK‑Smart). If you need to protect chemical confidentiality or operate in an air‑gapped environment, do not run this skill without validating where data will be sent and ensuring required libraries are installed in a controlled manner. If you want to proceed, ask the maintainer for a clear requirements.txt or packaging instruction and confirm whether you accept transmitting SMILES to the documented endpoints.
功能分析
Type: OpenClaw Skill Name: smiles-profiling Version: 1.2.0 The skill bundle is a legitimate chemical informatics tool designed to profile SMILES strings using various scientific databases (PubChem, ChEMBL, SwissTargetPrediction, etc.). The code in `run_smiles_profile.py` and `run_smiles_smoke.py` implements data fetching and parsing logic consistent with the stated purpose. While the PK-Smart integration in `run_smiles_smoke.py` uses a complex manual Protobuf and WebSocket implementation to interact with a Streamlit-based web app, this appears to be a necessary workaround for a tool lacking a formal API rather than a malicious technique. No evidence of data exfiltration, unauthorized access, or malicious prompt injection was found.
能力评估
Purpose & Capability
Name/description match the implementation: the scripts and SKILL.md call SwissTargetPrediction, PubChem, ADMETlab 3.0, ChEMBL, and PK‑Smart exactly as advertised. Network calls and parsing logic align with the stated goal of producing a combined pharmacology profile.
Instruction Scope
Runtime instructions focus on the SMILES-to-profiles workflow and reference the included scripts. The scripts perform only the expected network lookups and parsing; they do not attempt to read unrelated system files or request credentials. However, the code will transmit user-provided SMILES to multiple external services (expected for this skill but privacy-relevant) and uses a Streamlit/WebSocket flow to interact with PK-Smart.
Install Mechanism
This is an instruction-only skill with included Python scripts but no install spec or dependency list. The code imports third-party packages (e.g., websockets, google.protobuf) that are not declared anywhere, and autoresearch.config.md states 'Do not add third‑party Python packages' which conflicts with actual imports. That mismatch can lead to runtime failures or hidden ad-hoc installation steps by an integrator; lack of dependency declaration is an operational and supply-chain concern.
Credentials
No environment variables, credentials, or config paths are requested. All external access is to the public APIs/URLs documented in the references. There are no unrelated secrets requested.
Persistence & Privilege
The skill is not force‑enabled (always:false) and does not request to modify other skills or global agent settings. Autonomy (model invocation) defaults are unchanged; nothing in the package requests elevated persistence.
如何使用
  1. 确保已安装 OpenClaw(本地或 Docker 部署)
  2. 在对话框中输入安装命令:/install smiles-profiling
  3. 安装完成后,直接呼叫该 Skill 的名称或使用 /smiles-profiling 触发
  4. 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
v1.2.0
Add PubChem and ChEMBL integrations, plus a full profile script
v1.1.0
Improved documentation: clearer tool overview, example output format, edge case handling, use cases section
v1.0.0
Initial release: SwissTargetPrediction, ADMETlab 3.0, PK-Smart CSV extraction via Streamlit websocket
元数据
Slug smiles-profiling
版本 1.2.0
许可证 MIT-0
累计安装 0
当前安装数 0
历史版本数 3
常见问题

SMILES Profiling 是什么?

Comprehensive SMILES profiling through SwissTargetPrediction, PubChem, ADMETlab 3.0, ChEMBL, and PK-Smart. Use when given a single SMILES to extract predicte... 它是一个面向 Claude Code / OpenClaw 的 AI Agent Skill 插件,目前累计下载 127 次。

如何安装 SMILES Profiling?

在 OpenClaw 或 Claude Code 对话框中运行命令「/install smiles-profiling」即可一键安装,无需额外配置。

SMILES Profiling 是免费的吗?

是的,SMILES Profiling 完全免费,采用 MIT-0 许可证,可自由下载、安装和使用。

SMILES Profiling 支持哪些平台?

SMILES Profiling 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 SMILES Profiling?

由 Hendrik Schmitz(@hendr15k)开发并维护,当前版本 v1.2.0。

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