molclaw-mol-complexity-metrics
OfficialCompute molecular complexity metrics for SMILES.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Compute molecular complexity-related descriptors for a list of SMILES strings, returning the molecular complexity score, aromatic_proportion, and asphericity for each input molecule.
Core Features & Use Cases
- Calculate per-molecule descriptors (molecular_complexity, aromatic_proportion, asphericity) from SMILES.
- Returns a structured metrics list aligned with the input SMILES, enabling downstream filtering and ranking in cheminformatics workflows.
- Use Case: Compare a library of SMILES to identify high-complexity or niche molecules for medicinal chemistry campaigns.
Quick Start
Provide a list of SMILES strings to receive per-molecule complexity metrics.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
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Please help me install this Skill: Name: molclaw-mol-complexity-metrics Download link: https://github.com/InternScience/MolClaw/archive/main.zip#molclaw-mol-complexity-metrics Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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