Alphafold Database Fetch And Analyze
google-deepmind/science-skills
Retrieve and analyze AlphaFold predicted structures for a protein.
Orchestrate an end-to-end de novo protein binder design campaign against a protein target by composing BioNeMo NIM skills.
$ npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill protein-binder-design -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit protein-binder-design --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/protein-binder-design .claude/skills/protein-binder-design && 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 "protein-binder-design" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/protein-binder-design into .claude/skills/protein-binder-design/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "protein-binder-design", 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/protein-binder-designType 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 protein-binder-design -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit protein-binder-design --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/protein-binder-design .agents/skills/protein-binder-design && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "protein-binder-design" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/protein-binder-design into .agents/skills/protein-binder-design/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "protein-binder-design", 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 protein-binder-design -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit protein-binder-design --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/protein-binder-design .cursor/skills/protein-binder-design && 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 "protein-binder-design" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/protein-binder-design into .cursor/skills/protein-binder-design/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "protein-binder-design", 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/protein-binder-design--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 protein-binder-design -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install NVIDIA-BioNeMo/bionemo-agent-toolkit protein-binder-design --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/protein-binder-design .gemini/skills/protein-binder-design && 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 "protein-binder-design" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/protein-binder-design into .gemini/skills/protein-binder-design/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "protein-binder-design", 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 protein-binder-designInstalls 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 protein-binder-design -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/protein-binder-design .github/skills/protein-binder-design && 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 "protein-binder-design" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/protein-binder-design into .github/skills/protein-binder-design/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "protein-binder-design", 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 protein-binder-design -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 protein-binder-design --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/protein-binder-design .opencode/skills/protein-binder-design && 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 "protein-binder-design" agent skill from https://github.com/NVIDIA-BioNeMo/bionemo-agent-toolkit/tree/main/skills/bionemo-agent-toolkit/skills/protein-binder-design into .opencode/skills/protein-binder-design/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "protein-binder-design", 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.
protein-binder-designOrchestrate an end-to-end de novo protein binder design campaign against a protein target by composing BioNeMo NIM skills.
Protein Binder Design is an agent skill from 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. Use for binder design, minibinder design, de novo binders, RFdiffusion + ProteinMPNN + Boltz2/OpenFold3 pipelines, epitope/hotspot-targeted design, in-silico binder validation, and ranking designs by interface confidence.
Its SKILL.md is about 1.4k tokens, which your agent loads only when the skill is triggered. The skill folder holds 18 other files, including scripts, reference files and assets (for example `README.md`, `assets/targets.json` and `evals/evals.json`). Compatibility notes: numpy=1.24; requests=2.28
It sits in Research & Science, covering Protein structure and design. The repository describes itself as: Turn any agent into a life science expert with NVIDIA BioNeMo skills. The licence is Apache-2.0.
6 steps, taken from the first numbered list in SKILL.md.
Read from SKILL.md and the folder at commit 4f1b6a4. 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.
Ships 5 files in scripts/ (Python), which the agent can run.
From the folder's file list and the shell code blocks in SKILL.md.
Hosts in commands or code, which the agent is likely to contact:
health.api.nvidia.comAlso links to:
build.nvidia.comFrom URLs in SKILL.md, links to its own repository left out.
Names these keys or tokens, usually read from environment variables:
NVIDIA_API_KEYFrom names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
numpy>=1.24; requests>=2.28
From compatibility in the SKILL.md frontmatter.
Protein Binder Design loads about 1.4k tokens when it runs, and up to ~5.2k if it reads all its reference files. Until then it costs about 92 tokens; SKILL.md has 606 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); the scripts in this folder are not scanned.
The full file from NVIDIA-BioNeMo/bionemo-agent-toolkit at commit 4f1b6a4, republished under its Apache-2.0 licence (© NVIDIA-BioNeMo). 606 words, ~1,435 tokens.
.claude/skills/protein-binder-design/SKILL.md (or your agent's skills folder). This skill also uses 14 other files; get the full folder from GitHub.Run a de novo binder design campaign by composing atomic NIM skills. This skill
owns orchestration, handoff contracts, filtering, validation, and the run
manifest. It does NOT duplicate per-NIM API details — defer those to each
atomic skill's SKILL.md.
| Step | Skill | Owns |
|---|---|---|
| Backbones | rfdiffusion-nim | binder backbone PDBs (contigs + hotspots) |
| Sequences | proteinmpnn-nim | sequences for each backbone |
| Co-fold / score | boltz2-nim or openfold3-nim | binder–target complex + confidence / ipTM |
| MSA (optional) | msa-search-nim | target A3M for higher-quality folding |
The atomic NIM skills are recommended companions (one per NIM, from the BioNeMo
NIM skill set). They are not required: references/pipeline.md carries the
concrete request shape for every NIM call, so an agent with NIM access can follow
this skill standalone. For endpoints/auth see Configuration below.
hotspot_res strings; optionally build a
target MSA with msa-search-nim.rfdiffusion-nim) — binder contig + hotspot_res; N backbones.proteinmpnn-nim) — k sequences per backbone; drop the
native/WT row from mfasta.boltz2-nim / openfold3-nim) — co-fold binder+target;
collect interface confidence (ipTM) and binder pLDDT.scripts/metrics.py).Full handoff contracts, branching, and the cost funnel: references/pipeline.md.
output_pdb → ProteinMPNN input_pdb (inline PDB text).mfasta → Boltz2 binder polymer sequence (exclude the
native/WT row; pair scores only with designed rows).scripts/pdb_utils.py:remap_to_seq_index. RFdiffusion hotspot_res uses
chain+author strings like "A50"; Boltz2 pocket/contacts use 1-based indices..cif → binder chain → self-consistency RMSD vs the backbone.Every campaign writes manifest.json (+ candidates.csv) under a run dir via
scripts/manifest.py. It records lineage, params, scores, artifacts, filter
status, and controls — enabling ranking, resumability, validation, and the
final report. Schema and usage: references/manifest.md.
filters.Always run controls and report a success rate, not just top scores.
Negative controls via scripts/controls.py (scrambled sequences); positive
controls = published binders re-scored through the same pipeline. Benchmark
targets live in assets/targets.json (scripts/registry.py). Methodology and
metric definitions: references/validation.md.
De novo binder design is dual-use. Decline requests aimed at enhancing pathogen fitness, toxin potency, or bioweapon function; keep designs to legitimate research and therapeutic intent.
Each composed NIM is reached over HTTP; choose hosted or local once and reuse it for every call:
https://health.api.nvidia.com/v1/... per NIM at
build.nvidia.com; set NVIDIA_API_KEY (sent as
Authorization: Bearer). Read keys from the env — never hardcode them.http://localhost:8000/...); local NIMs need no auth header. To launch the
NIMs yourself (docker run per NIM, persistent caches, health checks, and the GPU
profile‑selection gotcha — some NIMs (e.g. Boltz2) need NIM_MODEL_PROFILE pinned
on GPUs that have no bundled profile, while others (RFdiffusion/ProteinMPNN) auto‑select
by compute capability): see references/local-nim-setup.md.Per-NIM paths, request/response schemas, and worked curl/Python examples live in
references/pipeline.md.
scripts/manifest.py — campaign manifest (create / load / score / filter / rank / CSV).scripts/pdb_utils.py — PDB parse, chain extract, sequence, residue remap, CA coords.scripts/metrics.py — Kabsch CA-RMSD for self-consistency.scripts/controls.py — scrambled negative controls.scripts/registry.py + assets/targets.json — example benchmark target
registry (illustrative epitopes — verify against the cited structure before a
real campaign). Replace with your own targets.© NVIDIA-BioNeMo, Apache-2.0. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file
SKILL.md and 14 other files (scripts, references, assets) in skills/bionemo-agent-toolkit/skills/protein-binder-design of NVIDIA-BioNeMo/bionemo-agent-toolkit.
Open the folder on GitHubat commit 4f1b6a4
Protein Binder Design 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 |
|---|---|---|---|---|---|---|
| Protein Binder Design this skillNVIDIA-BioNeMo/bionemo-agent-toolkit | 479 | — | ~1.4k | Automated safety check: Notes | Apache-2.0 | |
| Alphafold Database Fetch And Analyzegoogle-deepmind/science-skills | 3.2k | 2 repos | ~1.2k | Automated safety check: Pass | Apache-2.0 | |
| Alphafoldadaptyvbio/protein-design-skills | 164 | 3 repos | ~1.2k | Automated safety check: Pass | MIT | |
| Pymol VisualizationChatMol/ChatMol | 373 | — | ~1.2k | Automated safety check: Pass | MIT | |
| Bindcraftadaptyvbio/protein-design-skills | 164 | 3 repos | ~1.3k | Automated safety check: Pass | MIT | |
| DiffDock Molecular DockingK-Dense-AI/scientific-agent-skills | 48k | 1 repos | ~3k | Automated safety check: Notes | MIT |
google-deepmind/science-skills
Retrieve and analyze AlphaFold predicted structures for a protein.
adaptyvbio/protein-design-skills
Validate protein designs using AlphaFold2 structure prediction.
ChatMol/ChatMol
Generate publication-quality molecular visualization images using PyMOL.
adaptyvbio/protein-design-skills
End-to-end binder design using BindCraft hallucination. An agent skill from adaptyvbio/protein-design-skills.
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.
adaptyvbio/protein-design-skills
Guidance for choosing the right protein binder design tool. An agent skill from adaptyvbio/protein-design-skills.
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
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.
NVIDIA-BioNeMo/bionemo-agent-toolkit
Standalone evaluation of an existing PDB directory with Proteina-Complexa.
Categories
Orchestrate an end-to-end de novo protein binder design campaign against a protein target by composing BioNeMo NIM skills. Protein Binder Design is an agent skill from 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.
Protein Binder Design fits situations like: minibinder design; de novo binders; RFdiffusion + ProteinMPNN + Boltz2/OpenFold3 pipelines; epitope/hotspot-targeted design.
Run `npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill protein-binder-design -a claude-code`. Or copy the skill folder (skills/bionemo-agent-toolkit/skills/protein-binder-design in NVIDIA-BioNeMo/bionemo-agent-toolkit) into .claude/skills/protein-binder-design in your project. Claude Code loads it when a task matches its description.
Run `npx skills add NVIDIA-BioNeMo/bionemo-agent-toolkit --skill protein-binder-design -a codex`. Or copy the skill folder (skills/bionemo-agent-toolkit/skills/protein-binder-design in NVIDIA-BioNeMo/bionemo-agent-toolkit) into .agents/skills/protein-binder-design 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 protein-binder-design -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/protein-binder-design, .gemini/skills/protein-binder-design, .github/skills/protein-binder-design and .opencode/skills/protein-binder-design in your project.
Going by SKILL.md and its folder, Protein Binder Design needs Python for the scripts in its folder and credentials named NVIDIA_API_KEY. Our summary lists: Python 3; Docker; A credential in NVIDIA_API_KEY. Its frontmatter pre-approves these tools: Bash, Read, Write, AskUserQuestion. Compatibility (from SKILL.md): numpy>=1.24; requests>=2.28.
SKILL.md names 2 domains. In commands or code: health.api.nvidia.com; the agent is likely to contact it when it follows the instructions. As links in the text: build.nvidia.com. 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. The check reads SKILL.md only: the scripts in the folder are not scanned, so read them before running anything.
Protein Binder Design is published under the Apache-2.0 licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.
About 1.4k tokens (SKILL.md is roughly 5.7k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full. Its references folder adds about 3.7k tokens, read only when the agent opens those files.
Skills that share tags, products or a category with Protein Binder Design: Alphafold Database Fetch And Analyze (google-deepmind/science-skills, 3.2k stars), Alphafold (adaptyvbio/protein-design-skills, 164 stars), Pymol Visualization (ChatMol/ChatMol, 373 stars) and Bindcraft (adaptyvbio/protein-design-skills, 164 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 479 GitHub stars. The repository holds 14 skills in this directory. The repository was last updated on October 9, 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.