← All skills

drug-discovery-pipeline

80 / 100 · Low risk

Fine to try.

By NVIDIA/skills (GitHub) · coding · 3,933 stars · scanned at commit 2630133

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. Use this skill whenever the user wants to generate and screen small molecule drug candidates, perform…

Works with any agent that supports SKILL.md skills.

What this skill can do

Install

Paste this into your terminal. It downloads exactly the version we scanned, not whatever is newest.

if [ -e ~/.agents/skills/'drug-discovery-pipeline' ] || [ -L ~/.agents/skills/'drug-discovery-pipeline' ]; then echo 'A skill folder named drug-discovery-pipeline already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/NVIDIA/skills' "$d" && git -C "$d" checkout --quiet '2630133f22e357f2005886567a39eddcc1b520e2' -- 'skills/bionemo-drug-discovery-pipeline' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/bionemo-drug-discovery-pipeline' ~/.agents/skills/'drug-discovery-pipeline' && rm -rf "$d"; fi

Codex reads ~/.agents/skills directly. For Claude Code, Cursor, Copilot, Gemini CLI, Antigravity or OpenCode, also link it. For Claude Code: ln -s ~/.agents/skills/'drug-discovery-pipeline' ~/.claude/skills/'drug-discovery-pipeline' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

Badge for your README

The badge for NVIDIA/skills shows the score of its lowest-scoring skill.

[![SkillTrust](https://zalavijaysinh.github.io/skilltrust/badges/NVIDIA/skills.svg)](https://zalavijaysinh.github.io/skilltrust/repos/NVIDIA/skills/)

Score history