Use Therapeutics Data Commons through the PyTDC Python package for registry discovery, approved dataset access, task-aware splits (scaffold, cold-start, temporal, combination), evaluator metrics, benchmark groups, and bounded molecular-oracle workflows.
Install
npx skills add K-Dense-AI/drug-discovery-agent-skills --skill pytdcnpx skills add K-Dense-AI/drug-discovery-agent-skills --skill pytdc -a claude-code -gnpx skills add K-Dense-AI/drug-discovery-agent-skills --skill pytdc -a codex -ggemini skills install https://github.com/K-Dense-AI/drug-discovery-agent-skills.git --path skills/pytdcgh skill install K-Dense-AI/drug-discovery-agent-skills pytdcgit 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/pytdc ~/.claude/skills/pytdc # Claude Code
cp -R /tmp/K-Dense-AI__drug-discovery-agent-skills/skills/pytdc ~/.agents/skills/pytdc # Codex, Cursor, Gemini CLI, Copilot, OpenCode