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molfeat

davila7
Updated 28 days ago
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Otherai

About

Molfeat is a Python library that converts chemical structures like SMILES strings into numerical features for machine learning, supporting over 100 featurizers including fingerprints, descriptors, and pretrained models. Use it for tasks like building QSAR models, virtual screening, or similarity searching in molecular ML projects. It offers scikit-learn compatibility, parallel processing, and built-in caching for efficient workflows.

Quick Install

Claude Code

Recommended
Primary
npx skills add davila7/claude-code-templates -a claude-code
Plugin CommandAlternative
/plugin add https://github.com/davila7/claude-code-templates
Git CloneAlternative
git clone https://github.com/davila7/claude-code-templates.git ~/.claude/skills/molfeat

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

GitHub Repository

davila7/claude-code-templates
Path: cli-tool/components/skills/scientific/molfeat
0
anthropicanthropic-claudeclaudeclaude-code

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