Skills

Proteinmpnn Nim

Run ProteinMPNN inverse folding via NVIDIA NIM to design protein sequences for a target...

Install

npx skills add NVIDIA/skills --skill proteinmpnn-nim -g -a claude-code -y
Repository
NVIDIA/skills3.8k
Category
Design
Updated
5d ago
License
Apache-2.0 AND CC-BY-4.0
Context cost
Mediumabout 1,843 tokens
Runs scripts
Yes, review before use

What it does

Run ProteinMPNN inverse folding via NVIDIA NIM to design protein sequences for a target backbone. Sends user-provided PDB files and design parameters to NVIDIA's hosted API, authenticated with an environment API key, or to a user-selected local NIM. Use for sequence design, backbone redesign, fixed chains and residues, omit_AAs, sampling temperature, soluble model, local Docker, and multi-FASTA output.

ProteinMPNN NIM

<!-- nv-carps: dummy edit to trigger NIM skill validation. -->

Design protein sequences for a supplied backbone PDB. Use this guide for first-pass hosted/local usage; load supplemental files only when needed:

  • references/api.md: exact endpoints, schemas, Docker flags, response fields.
  • references/science.md: inverse-folding uses, limits, and validation.
  • references/parameters.md: design controls, fixed positions, sampling.
  • references/validation.md: FASTA, score, and structure checks.
  • references/examples.md: compact hosted/local request patterns.

Choose Mode

Honor the user's explicit mode; otherwise use the configured runtime. NIM_API_MODE=local selects the local service at PROTEINMPNN_NIM_URL; the URL defaults to http://localhost:8000 for a NIM running in the same host or container. Ask only when neither the environment nor the user's request makes the mode clear:

Hosted NVIDIA API or local Docker NIM?

  • Hosted: https://health.api.nvidia.com/v1/biology/ipd/proteinmpnn/predict
  • Local: append /biology/ipd/proteinmpnn/predict to PROTEINMPNN_NIM_URL (default base URL: http://localhost:8000).

Local inference paths do not include /v1/. Hosted requests use Authorization: Bearer $NGC_API_KEY. Supported local Docker startup uses NGC_API_KEY (or NVIDIA_API_KEY via the preflight) for registry login, entitlement checks, and first-run model downloads; pass it into the container with -e NGC_API_KEY. Local inference requests use no auth header after readiness. Warm-cache key-free startup varies by image/version and should not be assumed.

Data Transfer and Authorization

Read the whole SKILL.md on GitHub

More in Design