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Look up existing predictions and protein information in the AlphaFold Protein Structure Database. Retrieve concise structure metadata, UniProt summaries, sequence summaries, and annotations, with an option to save the full response for later inspection.
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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 proprietary sequences. Run a complete protein structure prediction pipeline using NVIDIA BioNeMo NIMs: search for MSA alignments with MSA-Search (ColabFold), then predict the structure with OpenFold3 using the retrieved alignments. Use this skill whenever the user wants to predict a protein structure with maximum accuracy using MSA context, run the full AlphaFold3-style pipeline, generate MSA-informed structure predictions, or improve structure prediction accuracy by providing evolutionary information. Triggers on: MSA structure prediction pipeline, structure prediction pipeline, MSA-informed prediction, OpenFold3, ColabFold MSA, AlphaFold3 pipeline, protein structure, homology search, a3m alignment, UniRef30, NIM microservice. This pipeline chains MSA-Search and OpenFold3.
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Predict the structure and binding of one defined protein, RNA, DNA, or ligand complex with Boltz. The workflow covers cost confirmation, job submission, result downloads, and summaries of structure and binding metrics.
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Predict structures for single proteins or protein complexes with AlphaFold2 through ColabFold. Use confidence scores and comparisons with a designed structure to assess whether a designed sequence folds as intended.
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Query AlphaFold protein structure predictions. Use when user asks about protein structure, 3D structure, protein folding, or structure prediction. Triggers on "alphafold", "protein structure", "3D structure", "folding", "pLDDT", "structure prediction".
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Design amino acid sequences from a protein backbone using SolubleMPNN, a model trained on soluble protein structures. Generate candidates with a solubility bias for redesigning aggregation-prone proteins or preparing an E. coli expression screen.
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Design amino acid sequences from a protein backbone stored in a PDB file using ProteinMPNN. Generate multiple candidates, redesign selected chains while preserving specified residues, and vary sampling settings to prepare sequences for downstream structure prediction.
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Predict three-dimensional structures of complexes containing proteins, RNA, DNA, and small molecules with Chai-1. Compare candidate structures using confidence scores and clash indicators, or run repeated predictions from Python to evaluate designed binders.
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Proteina-Complexa flow-based protein backbone generation with fold-conditioned sampling guidance. Use this skill when: (1) Generating de novo protein backbones with hierarchical fold conditioning, (2) Exploring long-chain backbone generation beyond standard diffusion baselines, (3) Using NVIDIA Proteina-style flow matching workflows for controllable backbone design, (4) Comparing flow-based backbone generation against RFdiffusion or BoltzGen, (5) Prototyping fold-guided backbone campaigns before sequence design. This skill is based on the public NVIDIA Digital Bio Proteina project and uses "Proteina-Complexa" as the BioClaw-facing skill label. For sequence design after backbone generation, use proteinmpnn or solublempnn. For QC thresholds, use protein-design-qc.
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Generate protein backbones using RFdiffusion, a diffusion-based generative model for de novo protein structure generation. Use this skill when: (1) Designing binder scaffolds for a target protein, (2) Generating novel protein backbones from scratch, (3) Scaffolding functional motifs into new proteins, (4) Specifying hotspot residues for interface design, (5) Creating symmetric oligomers. For sequence design after backbone generation, use proteinmpnn. For structure validation, use alphafold or chai. For QC thresholds, use protein-qc.
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Run protein structure prediction, molecular design, and docking tools on Tamarind Bio without a local GPU. Guides tool selection, input validation, job submission, batch processing, and result retrieval through its REST API or MCP server.
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Predict structures of complexes containing proteins, DNA, RNA, and ligands with OpenFold3, an AlphaFold3 reproduction with publicly available model weights. Prepare JSON inputs, generate candidate structures, and inspect confidence scores and molecular clashes.
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Predict structures of protein, nucleic acid, and small-molecule complexes with ESMFold2, using single sequences or aligned related sequences. The skill also covers ESMC models for numerical sequence representations, mutation scoring, and predictions of contacts between residues.
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Comprehensive toolkit for protein language models including ESM3 (generative multimodal protein design across sequence, structure, and function) and ESM C (efficient protein embeddings and representations). Use this skill when working with protein sequences, structures, or function prediction; designing novel proteins; generating protein embeddings; performing inverse folding; or conducting protein engineering tasks. Supports both local model usage and cloud-based Forge API for scalable inference.
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Chai-1 structure prediction for protein complexes and design validation. Use this skill when: (1) Predicting protein-protein complex structures, (2) Validating designed binders, (3) Predicting protein-ligand complexes, (4) Using the Chai API for high-throughput prediction, (5) Need an alternative to AlphaFold2. For QC thresholds, use protein-design-qc. For AlphaFold2 prediction, use alphafold2-multimer. For ESM-based analysis, use esm2-sequence-scoring.
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Boltz-1 / Boltz-2 structure prediction for proteins, complexes, and ligand-aware validation. Use this skill when: (1) Predicting protein complex structures, (2) Validating designed binders, (3) Need open-source alternative to AF2, (4) Predicting protein-ligand complexes, (5) Using local GPU resources. For QC thresholds, use protein-design-qc. For AlphaFold2 prediction, use alphafold2-multimer. For Chai prediction, use chai1-structure-prediction.
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Use Boltz-2 to predict structures of complexes containing proteins, DNA, RNA, and small molecules. Obtain structure files and confidence scores to assess designed binders, with optional predictions of binding strength between a protein and a small molecule.
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Query RCSB PDB for experimental protein structures. Use when user asks about crystal structures, X-ray, cryo-EM, NMR structures, or PDB IDs. Triggers on "pdb", "crystal structure", "cryo-em", "x-ray structure", "protein crystal", "experimental structure".
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Structure prediction using Chai-1, a foundation model for molecular structure. Use this skill when: (1) Predicting protein-protein complex structures, (2) Validating designed binders, (3) Predicting protein-ligand complexes, (4) Using the Chai API for high-throughput prediction, (5) Need an alternative to AlphaFold2. For QC thresholds, use protein-qc. For AlphaFold2 prediction, use alphafold. For ESM-based analysis, use esm.
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Use Biohub’s Python SDK to complete protein sequences with ESM3, extract numerical sequence representations with ESMC, and predict all-atom structures with ESMFold2. The skill guides local or hosted inference, input validation, and output checks.
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Structure prediction using Boltz-1/Boltz-2, an open biomolecular structure predictor. Use this skill when: (1) Predicting protein complex structures, (2) Validating designed binders, (3) Need open-source alternative to AF2, (4) Predicting protein-ligand complexes, (5) Using local GPU resources. For QC thresholds, use protein-qc. For AlphaFold2 prediction, use alphafold. For Chai prediction, use chai.
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Run molecular property predictions, explore molecular shapes, and estimate how compounds bind to proteins through a cloud Python API. Process compound batches and connect modeling steps without maintaining local high-performance computing infrastructure.
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Prepare and run molecular dynamics simulations with OpenMM, then analyze molecular motion with MDAnalysis. Examine protein flexibility, structural changes, and protein–ligand contacts through calculations and plots of simulated trajectories.
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Process DNA, RNA, and protein sequences with Biopython, convert biological files, and retrieve NCBI records. Supports batch workflows for sequence comparison, searches for similar sequences, protein structure analysis, and evolutionary trees.
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