Bio Shape Similarity
GPTomics/bioSkills
Performs 3D shape-based similarity searching using ROCS (OpenEye), USRCAT (ultra-fast), Open3DAlign (RDKit), ESPSim (electrostatic), and ShaEP with explicit handling of Tanimoto-Combo (shape +…
A skill your agent uses whenever the user wants to add, register, edit, list, show, or validate a Proteina-Complexa design target for any pipeline — protein binder (default), ligand binder, or AME /…
$ npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit complexa-target --agent claude-codeProject scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).
$ git clone --depth 1 https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/bionemo-agent-toolkit/skills/complexa-target .claude/skills/complexa-target && rm -rf skills-srcUse ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.
Claude Code skills documentation · loads skills from .claude/skills/
Install the "complexa-target" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/complexa-target into .claude/skills/complexa-target/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "complexa-target", then confirm the skill loads.Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$skill-installer install https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/complexa-targetType this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.
$ npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit complexa-target --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit.git skills-src && mkdir -p .agents/skills && cp -r skills-src/skills/bionemo-agent-toolkit/skills/complexa-target .agents/skills/complexa-target && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "complexa-target" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/complexa-target into .agents/skills/complexa-target/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "complexa-target", then confirm the skill loads.Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit complexa-target --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/skills/bionemo-agent-toolkit/skills/complexa-target .cursor/skills/complexa-target && rm -rf skills-srcUse ~/.cursor/skills/ instead of .cursor/skills for a personal install.
Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/
Install the "complexa-target" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/complexa-target into .cursor/skills/complexa-target/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "complexa-target", then confirm the skill loads.Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gemini skills install https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit.git --path skills/bionemo-agent-toolkit/skills/complexa-target--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.
$ npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit complexa-target --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/skills/bionemo-agent-toolkit/skills/complexa-target .gemini/skills/complexa-target && rm -rf skills-srcUse ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.
Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/
Install the "complexa-target" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/complexa-target into .gemini/skills/complexa-target/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "complexa-target", then confirm the skill loads.Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit complexa-targetInstalls for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).
$ npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit.git skills-src && mkdir -p .github/skills && cp -r skills-src/skills/bionemo-agent-toolkit/skills/complexa-target .github/skills/complexa-target && rm -rf skills-srcUse ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.
GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/
Install the "complexa-target" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/complexa-target into .github/skills/complexa-target/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "complexa-target", then confirm the skill loads.GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit complexa-target --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/skills/bionemo-agent-toolkit/skills/complexa-target .opencode/skills/complexa-target && rm -rf skills-srcUse ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.
OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/
Install the "complexa-target" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/complexa-target into .opencode/skills/complexa-target/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "complexa-target", then confirm the skill loads.OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
complexa-targetA skill your agent uses whenever the user wants to add, register, edit, list, show, or validate a Proteina-Complexa design target for any pipeline — protein binder (default), ligand binder, or AME /…
Complexa Target is an agent skill from NVIDIA-BioNeMo/bionemo-agent-toolkit. Use this skill whenever the user wants to add, register, edit, list, show, or validate a Proteina-Complexa design target for any pipeline — protein binder (default), ligand binder, or AME / enzyme scaffolding. Triggers include "add a target", "define a new target for binder design", "register a hotspot", "set up a PDL1 binder target", "ligand binder pocket", "SMILES target", "AME task", "enzyme motif", "M00241nzy", "complexa target add", "complexa target show", "configure target X", "what targets are available"…
Its SKILL.md is about 3.7k tokens, which your agent loads only when the skill is triggered. The skill folder holds 4 other files (for example `evals/evals.json` and `reference/target_schema.md`).
It sits in Research & Science, covering Drug discovery and cheminformatics and Project scaffolding. The repository describes itself as: Turn any agent into a life science expert with NVIDIA BioNeMo skills.
4 steps, taken from the step headings in SKILL.md.
Read from SKILL.md and the folder at commit 2113472. It shows what the files ask for, not the result of running them.
Pre-approves these tools, so the agent can use them without asking each time:
BashReadWriteAskUserQuestionFrom allowed-tools in the SKILL.md frontmatter.
Shell commands in SKILL.md call:
rgFrom the folder's file list and the shell code blocks in SKILL.md.
No URLs in SKILL.md.
From URLs in SKILL.md, links to its own repository left out.
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
Complexa Target loads about 3.7k tokens when it runs. Until then it costs about 214 tokens; SKILL.md has 1,478 words of instructions outside code blocks.
Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.
The automated check noted patterns worth knowing about, such as sudo or a known installer.
allowed-tools: Bash, Read, Write, AskUserQuestionAutomated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.
Its licence (Custom licence) doesn't allow us to republish the file, so here is its outline and opening line. It has 1,478 words (~3,712 tokens).
“Add or edit a design target in Proteina-Complexa. Targets live in three YAML files, one per complexa design pipeline:”
SKILL.md and 2 other files in skills/bionemo-agent-toolkit/skills/complexa-target of NVIDIA-BioNeMo/bionemo-agent-toolkit.
Open the folder on GitHubat commit 2113472
Complexa Target next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.
| Skill | Stars | Used in | Tokens | Auto-check | Licence | Repo updated |
|---|---|---|---|---|---|---|
| Complexa Target this skillNVIDIA-BioNeMo/bionemo-agent-toolkit | 478 | — | ~3.7k | Automated safety check: Notes | Custom licence | |
| Bio Shape SimilarityGPTomics/bioSkills | 1.2k | 2 repos | ~3.9k | Automated safety check: Pass | MIT | |
| MolecodeAtomFlow-AI/MoleCode | 305 | — | ~1.9k | Automated safety check: Pass | MIT | |
| Drug DiscoveryTommy-yw/RunbookHermes | 546 | 1 repos | ~2.3k | Automated safety check: Pass | MIT | |
| DiffDock Molecular DockingK-Dense-AI/scientific-agent-skills | 48k | 1 repos | ~3k | Automated safety check: Notes | MIT | |
| Biomedical Analysis Dispatchxjtulyc/MedgeClaw | 617 | 1 repos | ~2k | Automated safety check: Pass | None |
GPTomics/bioSkills
Performs 3D shape-based similarity searching using ROCS (OpenEye), USRCAT (ultra-fast), Open3DAlign (RDKit), ESPSim (electrostatic), and ShaEP with explicit handling of Tanimoto-Combo (shape +…
AtomFlow-AI/MoleCode
A skill your agent uses for deterministic molecule understanding, graph-level editing, generation, and validation with MoleCode — an explicit Mermaid graph in which every atom and bond is a typed…
Tommy-yw/RunbookHermes
Pharmaceutical research assistant for drug discovery workflows.
K-Dense-AI/scientific-agent-skills
Predicts how small molecules bind to a protein with DiffDock, covering batch docking, pose ranking by confidence and checks on the results; not for binding affinity.
xjtulyc/MedgeClaw
Routes bioinformatics, drug discovery, clinical and multi-omics tasks from a chat interface to Claude Code sessions running K-Dense scientific skills, with a live dashboard per task.
wy51ai/edulab
把一个化学反应做成自包含的微观 3D 交互演示网页:左/上为 Three.js 可交互分子动画 (拖滑块看断键·成键·原子重组,分步高亮),右为 KaTeX 反应方程 + 分步讲解 + 原子守恒计数 + 可选能量-反应进程曲线。支持三入口——给定文字反应/方程、随机出题、上传图片识别后演示。
NVIDIA-BioNeMo/bionemo-agent-toolkit
Run a complete protein binder design campaign with NVIDIA Proteina-Complexa: resolve a target structure and hotspots from a name/sequence/PDB, co-design binder sequence+structure with reward-guided…
NVIDIA-BioNeMo/bionemo-agent-toolkit
Route NVIDIA Parabricks pbrun tools, assess GPU/runtime readiness, and provide version-aware command guidance for FASTQ/BAM processing, RNA-seq, variant calling, BAM QC, and GVCF workflows.
NVIDIA-BioNeMo/bionemo-agent-toolkit
Orchestrate an end-to-end de novo protein binder design campaign against a protein target by composing BioNeMo NIM skills.
NVIDIA-BioNeMo/bionemo-agent-toolkit
Build and debug cuEquivariance irreps, custom Irrep subclasses, Clebsch-Gordan tensor products, and equivariant or segmented polynomials.
NVIDIA-BioNeMo/bionemo-agent-toolkit
A skill your agent uses when accelerating existing genomics workflows with NVIDIA Parabricks, improving runtime or price/performance, converting pipeline steps to GPUs, or comparing CPU and GPU…
NVIDIA-BioNeMo/bionemo-agent-toolkit
End-to-end Proteina-Complexa design pipeline driver. An agent skill from NVIDIA-BioNeMo/bionemo-agent-toolkit.
Categories
A skill your agent uses whenever the user wants to add, register, edit, list, show, or validate a Proteina-Complexa design target for any pipeline — protein binder (default), ligand binder, or AME /…. Complexa Target is an agent skill from NVIDIA-BioNeMo/bionemo-agent-toolkit. Use this skill whenever the user wants to add, register, edit, list, show, or validate a Proteina-Complexa design target for any pipeline — protein binder (default), ligand binder, or AME / enzyme scaffolding.
Complexa Target fits situations like: the user wants to add; validate a Proteina-Complexa design target for any pipeline — protein binder (default); AME / enzyme scaffolding; include add a target.
Run `npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a claude-code`. Or copy the skill folder (skills/bionemo-agent-toolkit/skills/complexa-target in NVIDIA-BioNeMo/bionemo-agent-toolkit) into .claude/skills/complexa-target in your project. Claude Code loads it when a task matches its description.
Run `npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a codex`. Or copy the skill folder (skills/bionemo-agent-toolkit/skills/complexa-target in NVIDIA-BioNeMo/bionemo-agent-toolkit) into .agents/skills/complexa-target in your project. Codex loads it when a task matches its description.
Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill complexa-target -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/complexa-target, .gemini/skills/complexa-target, .github/skills/complexa-target and .opencode/skills/complexa-target in your project.
Going by SKILL.md and its folder, Complexa Target needs the command-line tools its instructions call (rg). Our summary lists: Python 3. Its frontmatter pre-approves these tools: Bash, Read, Write, AskUserQuestion.
SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.
Our automated static check of SKILL.md found notes only (pre-approves every shell command (allowed-tools: bash)), nothing it rates as a warning. It is not a guarantee. Review the folder before installing.
Complexa Target has a licence file (the repository's licence) that doesn't match a standard licence. Read it on GitHub before reusing the skill.
About 3.7k tokens (SKILL.md is roughly 15k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.
Skills that share tags, products or a category with Complexa Target: Bio Shape Similarity (GPTomics/bioSkills, 1.2k stars), Molecode (AtomFlow-AI/MoleCode, 305 stars), Drug Discovery (Tommy-yw/RunbookHermes, 546 stars) and DiffDock Molecular Docking (K-Dense-AI/scientific-agent-skills, 48k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
NVIDIA-BioNeMo (a GitHub organization) maintains it in NVIDIA-BioNeMo/bionemo-agent-toolkit, which has 478 GitHub stars. The repository holds 14 skills in this directory. The repository was last updated on October 6, 2026.
Source: NVIDIA-BioNeMo/bionemo-agent-toolkit on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.