MCP servers and skills: search, filter by where they run, and compare.
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,
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Run DiffDock molecular docking via NVIDIA NIM to predict small-molecule binding poses against protein targets. Use for DiffDock, molecular docking, ligand docking, blind docking, SMILES or SDF ligands
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Use this skill when the user needs to locate authoritative information about NVIDIA DOCA without access to the source tree — finding the right docs.nvidia.com page for a library/service/tool, identify
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Use this skill when the user is dealing with the DOCA environment around their workload — verifying an install is healthy, preparing the build env (pkg-config, headers, LD_LIBRARY_PATH, hugepages, dev
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Use this skill whenever another DOCA skill says "prefer the structured tool per doca-structured-tools-contract", or when the user wants a one-shot answer that consolidates info multiple manual command
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
NOTE: molecule and target inputs and your NGC_API_KEY are transmitted to external NVIDIA-hosted API endpoints on every call. Use local NIM containers for confidential or proprietary data. Run a comple
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Generate and analyze DNA sequences using NVIDIA's Evo 2 BioNeMo NIM microservice. Use for Evo2/Evo 2, DNA generation, genomic sequence generation, hosted generation, local Docker deployment, local for
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Generate novel drug-like molecules using the GenMol NIM microservice. Use for de novo generation, scaffold decoration, motif extension, lead optimization, SAFE notation, QED or LogP ranking, hosted NV
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Use this skill for MolMIM, NVIDIA's BioNeMo NIM microservice for small-molecule latent-space generation and optimization. Invoke for MolMIM, molecular embeddings, hidden states, latent decoding, sampl
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Generate multiple sequence alignments (MSAs) for protein sequences using the ColabFold MSA-Search NIM. Use for homolog search, UniRef30/ColabFold env searches, A3M or FASTA alignments, paired MSA sear
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
NOTE: your protein sequence and the retrieved MSA alignment are transmitted to external NVIDIA-hosted APIs (health.api.nvidia.com) on every call. Use local NIM containers for confidential or proprieta
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Generates BYO custom safety policies for NVIDIA Nemotron content-safety guardrails — Nemotron-Content-Safety-Reasoning-4B (text) and multimodal Nemotron-3-Content-Safety. Produces a Markdown policy, J
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Use this skill for OpenFold2, NVIDIA's BioNeMo NIM microservice for monomer protein structure prediction. Invoke whenever the user mentions OpenFold2, AlphaFold2-like monomer folding, protein sequence
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Use this skill for OpenFold3, NVIDIA's BioNeMo NIM microservice for biomolecular structure prediction. Invoke whenever the user mentions OpenFold3 or needs protein, protein-ligand, protein-DNA/RNA, or
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
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 envi
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Run RFDiffusion protein backbone design via NVIDIA NIM. Use for de novo protein backbones, motif scaffolding, binder design, hotspot residues, contigs syntax, diffusion steps, hosted NVIDIA API calls,
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Run the full DEFT AOI improvement loop for NVIDIA TAO VisualChangeNet / ChangeNet PCB inspection models: baseline evaluate, RCA, Cosmos AnomalyGen / AMP synthetic defects, k-NN mining, retraining, and
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Run the disk-backed DEFT AOI improvement loop for NVIDIA Cosmos Reason 3 / Cosmos3 models, using Nano by default and Edge or Super when explicitly requested: evaluate the base model on Proxy and froze
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
Run iterative improvement for NVIDIA TAO CLIP / SigLIP image-text retrieval on attribute-labelled data. Use when a request combines retrieval evaluation, weak-attribute or caption-pair mining, repeate
OfficialSkillApache-2.0 AND CC-BY-4.0★ 3.6k in collectionNo key
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