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Explain machine learning predictions with SHAP values, which measure how each input contributes to an output. Create charts for individual predictions and overall feature importance, investigate errors, compare models, and examine differences between groups.
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Build and evaluate machine learning models in Python with scikit-learn. Covers classification, numerical prediction, grouping similar data, preprocessing, model comparison, and pipelines that combine data preparation and prediction into a repeatable workflow.
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Predict the structure of a single protein chain from its amino acid sequence using OpenFold2 NIM. Run through NVIDIA's hosted API or local Docker, optionally add sequence alignments and structural templates, and save predictions with confidence information.
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Validate protein designs using AlphaFold2 structure prediction. Use this skill when: (1) Validating designed sequences fold correctly, (2) Predicting binder-target complex structures, (3) Calculating confidence metrics (pLDDT, pTM, ipTM), (4) Self-consistency validation of designs, (5) Multi-chain complex prediction with AlphaFold-Multimer. For faster single-chain prediction, use esm. For QC thresholds, use protein-qc.
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Predict B-cell and T-cell epitopes for vaccine antigen design and epitope mapping with BepiPred-3.0, DiscoTope-3.0, the IEDB tools, and EL-mode MHC presentation. Encodes the load-bearing asymmetry that T-cell epitope prediction is mature (it reduces to MHC presentation, AUC>0.9) while B-cell prediction is unreliable (linear predictors ~AUC 0.6 because ~90% of real epitopes are conformational) — so structure-based DiscoTope-3.0 on AlphaFold models is the only defensible B-cell path, propensity scales are obsolete, and NetChop is largely redundant on EL-trained models. Use when mapping epitopes or selecting vaccine antigens. MHC binding lives in mhc-binding-prediction.
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Validate protein designs using AlphaFold2 structure prediction. Use this skill when: (1) Validating designed sequences fold correctly, (2) Predicting binder-target complex structures, (3) Calculating confidence metrics (pLDDT, pTM, ipTM), (4) Self-consistency validation of designs, (5) Multi-chain complex prediction with AlphaFold-Multimer. For faster single-chain prediction, use esm. For QC thresholds, use protein-qc.
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ESM2 protein language model for sequence scoring, embeddings, and plausibility checks. Use this skill when: (1) Computing pseudo-log-likelihood (PLL) scores, (2) Getting protein embeddings for clustering, (3) Filtering designs by sequence plausibility, (4) Zero-shot variant effect prediction, (5) Analyzing sequence-function relationships. For structure prediction, use chai1-structure-prediction or boltz-structure-prediction. For QC thresholds, use protein-design-qc.
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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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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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AlphaFold2 / AlphaFold-Multimer structure prediction for validation and confidence scoring. Use this skill when: (1) Validating designed sequences fold correctly, (2) Predicting binder-target complex structures, (3) Calculating confidence metrics (pLDDT, pTM, ipTM), (4) Self-consistency validation of designs, (5) Multi-chain complex prediction with AlphaFold-Multimer. For faster single-chain prediction, use esm2-sequence-scoring. For QC thresholds, use protein-design-qc.
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Review computational protein or gene function predictions and fill PredictionReview YAML files using the COR/CNN/LSP/UNC/PLI/NPI/REP biological-validity taxonomy. Use for ProtNLM, DeepECTF, BioReason/GO-GPT, InterPro2GO, PANTHER/IBA, CLEAN, GloEC, MAPred, ProteinInfer, or other predicted EC/GO annotations, including audits of the evidence and reasoning in existing prediction reviews.
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Use this skill when deploying a trained Einstein Discovery model to production records declaratively — activating a prediction definition, mapping output fields to page layouts, adding the Einstein Discovery Action to a Flow, running bulk predict jobs, and monitoring model health via Model Manager UI. Trigger keywords: prediction definition activation, bulk predict job, Einstein Discovery Flow action, Model Manager, prediction field mapping, model refresh activation, scoring job, Einstein Discovery recommendations on record. NOT for authoring the story in CRM Analytics Studio — use admin/einstein-discovery-setup. NOT for programmatic scoring through the API — use agentforce/einstein-discovery-development.
中文简介正在准备中。当前显示原文说明。
Validate protein designs using AlphaFold2 structure prediction. Use this skill when: (1) Validating designed sequences fold correctly, (2) Predicting binder-target complex structures, (3) Calculating confidence metrics (pLDDT, pTM, ipTM), (4) Self-consistency validation of designs, (5) Multi-chain complex prediction with AlphaFold-Multimer. For faster single-chain prediction, use esm. For QC thresholds, use protein-qc.
中文简介正在准备中。当前显示原文说明。
Predict B-cell and T-cell epitopes for vaccine antigen design and epitope mapping with BepiPred-3.0, DiscoTope-3.0, the IEDB tools, and EL-mode MHC presentation. Encodes the load-bearing asymmetry that T-cell epitope prediction is mature (it reduces to MHC presentation, AUC>0.9) while B-cell prediction is unreliable (linear predictors ~AUC 0.6 because ~90% of real epitopes are conformational) — so structure-based DiscoTope-3.0 on AlphaFold models is the only defensible B-cell path, propensity scales are obsolete, and NetChop is largely redundant on EL-trained models. Use when mapping epitopes or selecting vaccine antigens. MHC binding lives in mhc-binding-prediction.
中文简介正在准备中。当前显示原文说明。
Predict B-cell and T-cell epitopes for vaccine antigen design and epitope mapping with BepiPred-3.0, DiscoTope-3.0, the IEDB tools, and EL-mode MHC presentation. Encodes the load-bearing asymmetry that T-cell epitope prediction is mature (it reduces to MHC presentation, AUC>0.9) while B-cell prediction is unreliable (linear predictors ~AUC 0.6 because ~90% of real epitopes are conformational) — so structure-based DiscoTope-3.0 on AlphaFold models is the only defensible B-cell path, propensity scales are obsolete, and NetChop is largely redundant on EL-trained models. Use when mapping epitopes or selecting vaccine antigens. MHC binding lives in mhc-binding-prediction.
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指导使用市场数据运行预测模型的训练与预测命令，并保存结果；同时核实版本限制，区分真实训练结果与占位数据，避免误用未训练的输出。
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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Build and troubleshoot TorchDrug 0.2.1 workflows for molecular property prediction, molecule generation, protein modeling, and knowledge graph reasoning. Connect datasets, models, training tasks, and evaluation while checking version compatibility and common implementation errors.
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Build and check clinical machine learning workflows with PyHealth, from loading electronic health records, signals, or images to training and evaluation. Includes patient-level data splits, prediction task checks, model checkpoints, and medical code mapping.
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Turn observations or preliminary findings into testable research plans. The skill separates candidate hypotheses from evidence, develops competing explanations and distinguishing predictions, and helps specify measurements and analysis plans for preregistration, a research plan recorded before testing.
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Build molecular property prediction workflows with DeepChem for solubility, toxicity, and related chemistry tasks. Prepare molecular representations, choose compatible models, handle missing labels, and evaluate predictions using data splits designed for the intended scientific question.
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Build applications that use Polymarket market data and trading APIs. The skill guides live monitoring through WebSocket connections, which receive ongoing updates, including trades, orders, market comments, and cryptocurrency prices.
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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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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.
中文简介正在准备中。当前显示英语简介。