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Install in OpenClaw
/install smiles-de-salter
Description
Analyze data with `smiles-de-salter` using a reproducible workflow, explicit validation, and structured outputs for review-ready interpretation.
Usage Guidance
This skill appears to do what it claims: locally parse SMILES and remove salt fragments. Before installing/using it: 1) Run the recommended smoke checks (python -m py_compile scripts/main.py and python scripts/main.py --help) in a sandboxed environment. 2) Ensure RDKit is installed correctly for your platform (many users install RDKit via conda rather than pip). 3) Test with a small sample file to confirm behavior and edge cases (the heuristic may misclassify unusual ions). 4) Review inputs for any sensitive data before processing and ensure outputs are stored where you intend. 5) If you need network-isolated execution or stricter auditing, run the script in a contained environment (container or VM).
Capability Analysis
Type: OpenClaw Skill
Name: smiles-de-salter
Version: 1.0.0
The skill bundle is a legitimate tool for chemical informatics, specifically for desalting SMILES strings using the RDKit library. The Python script `scripts/main.py` implements standard heuristic-based molecular fragmentation logic without any signs of data exfiltration, unauthorized network access, or malicious execution. The `SKILL.md` instructions are well-structured, align perfectly with the code's functionality, and include proactive security checklists and validation steps.
Capability Assessment
Purpose & Capability
Name/description match the provided artifacts: a single Python script (scripts/main.py) plus SKILL.md and references. Declared dependencies (RDKit, pandas) align with chemical SMILES parsing and tabular IO. No unrelated binaries, credentials, or config paths are requested.
Instruction Scope
SKILL.md restricts runtime actions to validating inputs, compiling/running scripts/main.py, and processing input files. The instructions do not ask the agent to read unrelated system files, access secrets, or transmit data externally. Fallback/error handling is explicit and limited to local reporting.
Install Mechanism
This is an instruction-only skill (no install spec) and includes a requirements.txt listing pandas and rdkit. That is proportionate. Note: installing RDKit can be non-trivial on some systems (often requiring conda or platform-specific wheels); the SKILL.md suggests `pip install rdkit pandas`, which may fail in many environments. This is an operational/compatibility note, not a security concern.
Credentials
No environment variables, credentials, or config paths are required. The script operates on user-provided input/output files only, which is proportionate to the stated functionality.
Persistence & Privilege
Flags show normal defaults (always: false, model invocation allowed). The skill does not request permanent presence or attempt to modify other skills or global configs.
How to Use
- Make sure OpenClaw is installed (local or Docker)
- Run the install command in chat:
/install smiles-de-salter - After installation, invoke the skill by name or use
/smiles-de-salter - Provide required inputs per the skill's parameter spec and get structured output
Version History
v1.0.0
smiles-de-salter v1.0.0
- Initial release of smiles-de-salter skill for batch de-salting of chemical SMILES strings.
- Provides a reproducible workflow for identifying and removing salt ions, retaining only the core compound.
- Supports structured outputs, explicit input validation, and review-ready results.
- Command-line tool with parameterized input/output control, status messages, and error handling.
- Includes comprehensive documentation for usage, salt type handling, input/output formats, and edge cases.
Metadata
Frequently Asked Questions
What is SMILES De-salter?
Analyze data with `smiles-de-salter` using a reproducible workflow, explicit validation, and structured outputs for review-ready interpretation. It is an AI Agent Skill for Claude Code / OpenClaw, with 113 downloads so far.
How do I install SMILES De-salter?
Run "/install smiles-de-salter" in the OpenClaw or Claude Code chat to install it in one step — no extra setup required.
Is SMILES De-salter free?
Yes, SMILES De-salter is completely free, licensed under MIT-0. You can download, install and use it at no cost.
Which platforms does SMILES De-salter support?
SMILES De-salter is cross-platform and runs anywhere OpenClaw / Claude Code is available (cross-platform).
Who created SMILES De-salter?
It is built and maintained by AIpoch (@aipoch-ai); the current version is v1.0.0.
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