NOTE: molecule and target inputs and your NGC_API_KEY are transmitted to external NVIDIA-hosted API endpoints on every call. Use local NIM containers for confidential or proprietary data. Run a complete computational drug discovery pipeline using NVIDIA BioNeMo NIMs: generate drug-like molecules with GenMol, dock them to a protein target with DiffDock, then predict binding affinity with Boltz2.
Install
npx skills add NVIDIA/skills --skill drug-discovery-pipelinenpx skills add NVIDIA/skills --skill drug-discovery-pipeline -a claude-code -gnpx skills add NVIDIA/skills --skill drug-discovery-pipeline -a codex -ggemini skills install https://github.com/NVIDIA/skills.git --path skills/bionemo-drug-discovery-pipelinegh skill install NVIDIA/skills drug-discovery-pipelinegit clone --depth 1 https://github.com/NVIDIA/skills /tmp/NVIDIA__skills
mkdir -p ~/.claude/skills ~/.agents/skills
cp -R /tmp/NVIDIA__skills/skills/bionemo-drug-discovery-pipeline ~/.claude/skills/drug-discovery-pipeline # Claude Code
cp -R /tmp/NVIDIA__skills/skills/bionemo-drug-discovery-pipeline ~/.agents/skills/drug-discovery-pipeline # Codex, Cursor, Gemini CLI, Copilot, OpenCode