molfeat

Name: molfeat
Author: K-Dense-AI

Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.

molfeat ml

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---
name: molfeat
description: Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
license: Apache-2.0 license
metadata:
    skill-author: K-Dense Inc.
---

# Molfeat - Molecular Featurization Hub

## Overview

Molfeat is a comprehensive Python library for molecular featurization that unifies 100+ pre-trained embeddings and hand-crafted featurizers. Convert chemical structures (SMILES s

How to Use

Recommended: Install to project (local)

mkdir -p .claude/skills
curl -o .claude/skills/molfeat.md \
  https://raw.githubusercontent.com/K-Dense-AI/claude-scientific-skills/main/scientific-skills/molfeat/SKILL.md

Skill is scoped to this project only. Add .claude/skills/ to your .gitignoreif you don't want to commit it.

Alternative: Clone full repo

git clone https://github.com/K-Dense-AI/claude-scientific-skills

Then reference at scientific-skills/molfeat/SKILL.md