molecular-io
CommunityEfficient molecular file format manipulation with RDKit and Open Babel
Authorpradyumnasagar
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill provides robust molecular file I/O operations, addressing issues with aromaticity, stereochemistry, and implicit/explicit hydrogens in chemical file formats.
Core Features & Use Cases
- File Reading: Reads and converts various molecular file formats like SMILES, InChI, SDF, MOL2, PDB, etc.
- Aromaticity and Stereochemistry Handling: Ensures accurate aromaticity perception and stereochemistry representation.
- File Writing: Writes and converts molecular files to various formats.
- Use Case: Ideal for chemists and researchers needing to standardize and prepare molecules for further analysis or computational studies.
Quick Start
Load the molecular-io skill and parse the molecule with SMILES: parse_smiles_safe('CCO').
Dependency Matrix
Required Modules
rdkitopenbabel
Components
scriptsreferences
💻 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: molecular-io Download link: https://github.com/pradyumnasagar/open-research-skills/archive/main.zip#molecular-io Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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