cp2k-input-generator
PassAudited by VirusTotal on May 11, 2026.
Overview
Type: OpenClaw Skill Name: cp2k-input-generator Version: 1.0.0 The skill bundle is a legitimate tool for generating CP2K quantum chemistry input files. The Python script (scripts/generate_cp2k_input.py) contains standard parsing logic for structural formats (XYZ, CIF, PDB) and string generation for configuration files, while the SKILL.md provides clear, task-oriented instructions for the AI agent without any evidence of prompt injection, data exfiltration, or unauthorized execution.
Findings (0)
Artifact-based informational review of SKILL.md, metadata, install specs, static scan signals, and capability signals. ClawScan does not execute the skill or run runtime probes.
The assistant may read user-specified chemistry files and create or overwrite a CP2K input file at the chosen path.
The skill explicitly asks the agent to read local structure files and write the generated CP2K input file. This is expected for the stated purpose, but users should be aware of the local file access and output-write behavior.
使用 `read_file` 工具读取结构文件内容 ... 将生成的输入文件写入 `function.inp`
Provide only the intended structure/output files, confirm the output path, and review the generated .inp before using it in computations.
If the optional helper is run, it executes local Python code and reads/writes the files named in the command.
The skill documents optional execution of a bundled Python helper. This is user-directed and aligned with generating CP2K inputs, and the visible script content is consistent with parsing structure files and generating text.
对于复杂的输入文件生成,可以使用 `scripts/generate_cp2k_input.py` 脚本: `python scripts/generate_cp2k_input.py <calculation_type> <structure_file> ...`
Run the helper only from the installed skill directory, use explicit input/output paths, and inspect the generated file.
Users have limited upstream information to verify the publisher or project history.
The registry metadata provides limited provenance and no homepage, while the skill includes a local helper script. No external dependencies or suspicious static scan findings are shown, so this is a provenance note rather than a concern.
Source: unknown; Homepage: none; No install spec — this is an instruction-only skill.
If provenance matters, verify the publisher and review the bundled script before using the optional command-line helper.