Boltz2 Nim
Use Boltz2 NIM for biomolecular structure prediction and binding affinity.
Install
npx skills add NVIDIA/skills --skill boltz2-nim -g -a claude-code -y- Repository
- NVIDIA/skills3.8k
- Category
- DevOps
- Updated
- 5d ago
- License
- Apache-2.0 AND CC-BY-4.0
- Context cost
- Lightabout 1,272 tokens
- Runs scripts
- No, instructions only
What it does
Use Boltz2 NIM for biomolecular structure prediction and binding affinity. Invoke for Boltz2, protein structures, protein-ligand/DNA/RNA complexes, SMILES or CCD ligands, pIC50/IC50 affinity scoring, mmCIF output, hosted NVIDIA API calls, or local Docker deployment.
Boltz2 NIM
Predict biomolecular structures and optional ligand affinity. 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: purpose, strengths, limitations, and handoffs.references/parameters.md: prediction, sampling, MSA, template, affinity tuning.references/validation.md: mmCIF, confidence, affinity, and chemistry checks.references/examples.md: compact hosted/local payload patterns.
Instructions
Read credentials from the environment only when needed. Check presence with
bool(os.getenv("NGC_API_KEY")); keep key values and Authorization headers out of
terminal output, logs, saved artifacts, and the final response. Avoid environment
dumps when diagnosing authentication. If the hosted key is absent, report the
missing variable before submitting a request.
Choose Mode
Ask only when context is unclear:
Hosted NVIDIA API or local Docker NIM?
- Hosted:
https://health.api.nvidia.com/v1/biology/mit/boltz2/predict - Local:
http://localhost:8000/biology/mit/boltz2/predict
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.
Local Docker
For local setup answers, copy the preflight below before docker login,
docker run, readiness, and the no-auth local request. Do not invent a cache
default or drop the .env load or NVIDIA_API_KEY fallback.
set -a
[ -f .env ] && . ./.env
set +a
