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molfeat

BbgnsurfTech
Updated 5 days ago
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Otherai

About

Molfeat is a Python library that converts chemical structures like SMILES strings into 100+ types of numerical features for machine learning. It's designed for molecular ML tasks such as QSAR modeling, virtual screening, and similarity searching. Key capabilities include ECFP fingerprints, molecular descriptors, pretrained models like ChemBERTa, and scikit-learn compatible transformers.

Quick Install

Claude Code

Recommended
Primary
npx skills add BbgnsurfTech/claude-skills-collection -a claude-code
Plugin CommandAlternative
/plugin add https://github.com/BbgnsurfTech/claude-skills-collection
Git CloneAlternative
git clone https://github.com/BbgnsurfTech/claude-skills-collection.git ~/.claude/skills/molfeat

Copy and paste this command in Claude Code to install this skill

GitHub Repository

BbgnsurfTech/claude-skills-collection
Path: community/individual-skills/claude-scientific-skills/scientific-skills/molfeat
0

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