Generate and optimise novel small molecules with REINVENT 4 — de novo sampling from a chemical language model, scaffold decoration with LibInvent, fragment linking with LinkInvent, and similarity-constrained analogue generation with Mol2Mol.
安装
npx skills add K-Dense-AI/drug-discovery-agent-skills --skill generative-designnpx skills add K-Dense-AI/drug-discovery-agent-skills --skill generative-design -a claude-code -gnpx skills add K-Dense-AI/drug-discovery-agent-skills --skill generative-design -a codex -ggemini skills install https://github.com/K-Dense-AI/drug-discovery-agent-skills.git --path skills/generative-designgh skill install K-Dense-AI/drug-discovery-agent-skills generative-designgit clone --depth 1 https://github.com/K-Dense-AI/drug-discovery-agent-skills /tmp/K-Dense-AI__drug-discovery-agent-skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/K-Dense-AI__drug-discovery-agent-skills/skills/generative-design ~/.claude/skills/generative-design # Claude Code
cp -R /tmp/K-Dense-AI__drug-discovery-agent-skills/skills/generative-design ~/.agents/skills/generative-design # Codex, Cursor, Gemini CLI, Copilot, OpenCode