cactus-cheminformatics-guide
CommunityAI-driven cheminformatics insights for molecules
Education & Research#cheminformatics#substructure#rdkit#similarity-search#molecular-analysis#cactus#property-calculation
Authorliongkj
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Scientists and students often need to extract molecular properties, perform similarity searches, and analyze substructures from textual queries. CACTUS provides an integrated cheminformatics agent to translate natural language requests into RDKit-powered analyses.
Core Features & Use Cases
- Molecular property calculation and Lipinski-like checks via natural language queries.
- Similarity searches and substructure analysis against common chemical databases.
- Interactive chemical reasoning and education through guided experiments.
Quick Start
Query CACTUS with a SMILES string to analyze properties and perform a similarity search.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: cactus-cheminformatics-guide Download link: https://github.com/liongkj/zotero-library-bridge-skills/archive/main.zip#cactus-cheminformatics-guide Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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