Featurizes small molecules with Molfeat for QSAR/QSPR, chemical similarity, virtual screening, and molecular ML. Covers ECFP/MACCS fingerprints, RDKit descriptors, pharmacophores, pretrained embeddings, configuration persistence, and molecule-to-label alignment.
Install
npx skills add K-Dense-AI/scientific-agent-skills --skill molfeatnpx skills add K-Dense-AI/scientific-agent-skills --skill molfeat -a claude-code -gnpx skills add K-Dense-AI/scientific-agent-skills --skill molfeat -a codex -ggemini skills install https://github.com/K-Dense-AI/scientific-agent-skills.git --path skills/molfeatgh skill install K-Dense-AI/scientific-agent-skills molfeatgit clone --depth 1 https://github.com/K-Dense-AI/scientific-agent-skills /tmp/K-Dense-AI__scientific-agent-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/K-Dense-AI__scientific-agent-skills/skills/molfeat ~/.claude/skills/molfeat # Claude Code
cp -R /tmp/K-Dense-AI__scientific-agent-skills/skills/molfeat ~/.agents/skills/molfeat # Codex, Cursor, Gemini CLI, Copilot, OpenCode