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在 OpenClaw 中安装
/install pharmaclaw-alphafold-agent
功能描述
Compliant AlphaFold Agent for protein structure retrieval, ESMFold prediction, binding site detection, and RDKit ligand docking. Fetches public PDB/AlphaFold...
安全使用建议
This skill appears to do what it says and does not request credentials or hidden endpoints, but treat it as a proof-of-concept/demo: ESMFold prediction is mocked, binding-site detection and docking are simplistic, and the script contains runtime bugs (missing Draw import, minimal error handling). If you plan to use it in production, review and fix the code, add input validation and HTTP/response checks, replace mocks with real ESMFold/fpocket/Vina components, and run it in an isolated/sandbox environment. As with any third-party script from an unknown source, inspect the code and test on non-sensitive systems before trusting it with important data.
功能分析
Type: OpenClaw Skill
Name: pharmaclaw-alphafold-agent
Version: 1.0.0
The skill bundle is a legitimate tool for protein structure retrieval and molecular docking. The script `scripts/alphafold_agent.py` interacts with public scientific databases (RCSB PDB) and uses standard bioinformatics libraries (RDKit, Biopython) as described in `SKILL.md`. While some functions are currently mocks and there is a minor missing import for visualization, there is no evidence of malicious intent, data exfiltration, or unauthorized execution.
能力评估
Purpose & Capability
The name/description (structure retrieval, ESMFold prediction, binding site detection, RDKit docking) matches the code and dependencies (requests, biopython, RDKit). However ESMFold prediction is explicitly mocked in the script (predict_esmfold writes a placeholder PDB) rather than invoking HuggingFace/ESMFold; docking and pocket detection are simplified/mocked. This is coherent for a demo but not a full production implementation.
Instruction Scope
SKILL.md and the script instruct the agent to fetch public PDBs (RCSB), optionally read a FASTA file, run a local mock prediction, detect pockets and run an RDKit-based docking/emedding. The script writes files locally and performs HTTP requests only to legitimate public endpoints (RCSB and AlphaFold EBI). It does not read or exfiltrate unrelated system files or request credentials.
Install Mechanism
No install spec is provided (instruction-only skill with one included script). That lowers installation risk; packages listed (rdkit-pypi, biopython, requests) are consistent with functionality. No arbitrary downloads or extract/install steps are present.
Credentials
The skill declares no required environment variables, no credentials, and requests no config paths. The runtime code also does not read environment variables or secrets.
Persistence & Privilege
always is false and the skill does not request persistent presence or modify other skills or system-wide settings. It runs as a one-off script that reads/writes local files.
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-alphafold-agent - 安装完成后，直接呼叫该 Skill 的名称或使用
/pharmaclaw-alphafold-agent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
v1.0.0
pharmaclaw-alphafold-agent v1.0.0
- Initial release of a compliant AlphaFold agent for protein structure retrieval, ESMFold prediction, binding pocket detection, and basic RDKit ligand docking.
- Supports fetching public PDB/AlphaFold DB structures, predicting 3D folds, detecting pockets, and docking ligands using SMILES input.
- Integrates into multi-step pipelines with clear input/output JSON formats and chain connectivity.
- Operates fully on open-source/commercially permissible resources; does not require proprietary servers.
- Includes limitations for docking (RDKit scoring) and binding site detection refinement.
元数据
常见问题
Pharmaclaw Alphafold Agent 是什么？
Compliant AlphaFold Agent for protein structure retrieval, ESMFold prediction, binding site detection, and RDKit ligand docking. Fetches public PDB/AlphaFold... 它是一个面向 Claude Code / OpenClaw 的 AI Agent Skill 插件，目前累计下载 351 次。
如何安装 Pharmaclaw Alphafold Agent？
在 OpenClaw 或 Claude Code 对话框中运行命令「/install pharmaclaw-alphafold-agent」即可一键安装，无需额外配置。
Pharmaclaw Alphafold Agent 是免费的吗？
是的，Pharmaclaw Alphafold Agent 完全免费，采用 MIT-0 许可证，可自由下载、安装和使用。
Pharmaclaw Alphafold Agent 支持哪些平台？
Pharmaclaw Alphafold Agent 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 Alphafold Agent？
由 Cheminem（@cheminem）开发并维护，当前版本 v1.0.0。
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