Agent skill · nvidia
boltz2-nim
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.
What it needs
About 3k tokens when loaded.
What this skill does
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("NGCAPIKEY")); 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 $NGCAPIKEY. Supported local Docker startup uses NGCAPIKEY (or NVIDIAAPIKEY via the preflight) for registry login, entitlement checks, and first-run model downloads; pass it into the container with -e NGCAPIKEY. 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 NVIDIAAPIKEY fallback. Readiness: First startup downloads about 30 GB of model weights. Examples Prediction Request Payload essentials: Protein polymer: {"moleculetype": "protein", "sequence": "..."}. DNA/RNA polymer: add another polymer with moleculetype "dna" or "rna". …
How to use it
Reference it in AdaL, Claude Code, Cursor or any coding agent — nothing to install:
@skills nvidia/bionemo-boltz2-nim