ScienceSkills
Research domain

Machine Learning & Data Science AI skills

Turn data into models you can evaluate.

Choose tools based on data structure and task: tabular prediction, time series, graph learning or representation analysis. Decide how performance will be evaluated before training.

Before you start
Keep evaluation data separate from fitting and preprocessing. Record split logic, baseline performance and the environment used to reproduce results.
22 skills in this collectionOpen instructions · Check dependencies

aeon

This skill should be used for time series machine learning tasks including classification, regression, clustering, forecasting, anomaly detection, segmentation, and similarity search. Use when working with temporal data, sequential patterns, or time-indexed observations requiring specialized algorithms beyond standard ML approaches. Particularly suited for univariate and multivariate time series analysis with scikit-learn compatible APIs.

Machine Learning & Data Science

dask

Scales pandas, NumPy, and custom Python research workflows beyond memory or across clusters with Dask. Covers DataFrames, Arrays, Bags, Futures, chunking, schedulers, and distributed diagnostics. Use for partitioned file processing, scientific array computation, or parallel tasks whose memory and dependency structure require Dask.

Machine Learning & Data Science

exploratory-data-analysis

"Performs bounded, local exploratory analysis of explicitly supported scientific files. Supports redacted CSV/TSV/JSON profiles; optional NumPy, HDF5, FASTA/FASTQ, and basic image metadata inspection; missingness/leakage audits; outlier and transformation sensitivity; and rigorous EDA report scaffolds. Other domain formats are reference-only and unknown formats fail closed."

Machine Learning & Data Science

networkx

Creates, analyzes, and visualizes complex networks and graphs in Python with NetworkX. Use when working with network/graph data structures, computing graph algorithms (shortest paths, centrality, clustering), detecting communities, generating synthetic networks (random, scale-free, small-world), reading/writing graph file formats, or drawing network topologies. Common applications include social, biological, transportation, and citation networks.

Machine Learning & Data Science

neurokit2

Builds and audits reproducible NeuroKit2 research workflows for physiological time-series preprocessing, event/interval analysis, multimodal alignment, variability, and complexity. Use when code imports neurokit2 or needs its current APIs, schemas, and method-aware validation—not for diagnosis or device validation.

Machine Learning & Data Science

polars

High-performance DataFrame library for Python ETL, analytics, and pandas migration. It supports expression-based data manipulation with lazy query optimization, parallel execution, streaming out-of-core processing, Arrow interoperability, and optional GPU execution.

Machine Learning & Data Science

pufferlib

Version-aware guidance for PufferLib reinforcement-learning environments, vectorization, policies, PuffeRL training, evaluation, and safe checkpoint review. Covers the native 5.0 build and environment API, published 3.0.0 Gymnasium/PettingZoo adaptation, and a pinned historical 4.0 profile.

Machine Learning & Data Science

pymc

Builds and checks Bayesian models with PyMC, including hierarchical models, NUTS MCMC, variational inference, mutable-data predictions, posterior predictive checks, diagnostics, and PSIS-LOO model comparison. Use for probabilistic modeling and uncertainty inference in PyMC.

Machine Learning & Data Science

pymoo

Solves and validates single-, multi-, and many-objective optimization with pymoo, including NSGA-II, NSGA-III, MOEA/D, constraints, Pareto approximations, reference directions, and ZDT/DTLZ benchmarks for engineering and research problems.

Machine Learning & Data Science

pytorch-lightning

Deep learning framework (PyTorch Lightning / lightning package). Organize PyTorch code into LightningModules, configure Trainers for multi-GPU/TPU, implement data pipelines, callbacks, logging (W&B, TensorBoard, MLflow), distributed training (DDP, FSDP, DeepSpeed), for scalable neural network training.

Machine Learning & Data Science

relsa-severity-assessment

Supports multivariate severity assessment and exploratory endpoint-time score forecasting for laboratory animal studies using the RELSA (RELative Severity Assessment) score and ARIMA-based foRcast forecasting. Use when combining welfare readouts — body weight or weight loss, body temperature, clinical or nesting scores, biomarkers, activity, heart rate, burrowing, wheel running — into one severity score per animal per day, when asking which animals are at risk of reaching a humane endpoint at a specified future observation time, when defining attention/danger zones or thresholds on a severity scale by kernel density estimation, or when reporting severity for a 3Rs, refinement, animal-welfare, or EU Directive 2010/63/EU severity-assessment context. Covers directionality ("turned" variables), baseline normalization, reference sets, RELSA weights, ARIMA prediction intervals, and RMSE/PICP/MPIW evaluation.

Machine Learning & Data Science

scikit-learn

Supports machine learning in Python with scikit-learn. Applies when working with supervised learning (classification, regression), unsupervised learning (clustering, dimensionality reduction), model evaluation, hyperparameter tuning, preprocessing, or building ML pipelines. Provides comprehensive reference documentation for algorithms, preprocessing techniques, pipelines, and best practices.

Machine Learning & Data Science

scikit-survival

Builds, evaluates, and audits right-censored or competing-risk survival workflows with scikit-survival, including leakage-safe preprocessing, model selection, probability prediction, and censoring-aware metrics.

Machine Learning & Data Science

shap

Explain and audit machine-learning predictions with SHAP. Use for selecting SHAP explainers and maskers, computing and validating feature attributions, handling multi-output explanations, and producing local or global SHAP visualizations.

Machine Learning & Data Science

stable-baselines3

Trains and evaluates single-agent reinforcement learning with Stable Baselines3 (PPO, SAC, DQN, TD3, DDPG, A2C), Gymnasium custom environments, vectorized rollouts, callbacks, and checkpoint normalization. Applies to reproducible RL experiments, continuous control, discrete actions, and SB3-Contrib recurrent or masked policies.

Machine Learning & Data Science

timesfm-forecasting

Performs zero-shot time-series forecasting with Google's TimesFM, including regular-grid CSV preparation, quantile forecasts, XReg covariates, and held-out evaluation. Uses the Apache-licensed TimesFM 2.5 checkpoint by default and documents the distinct TimesFM 3.0 multivariate API and weight-license requirements.

Machine Learning & Data Science

torch-geometric

Supports PyTorch Geometric (PyG) graph neural networks — node/link/graph classification, message passing (GCN, GAT, GraphSAGE, GIN), heterogeneous graphs, neighbor sampling, and custom datasets. Use when working with torch_geometric, not for general NetworkX analytics or non-graph PyTorch models.

Machine Learning & Data Science

transformers

Hugging Face Transformers for loading Hub models, running pipeline inference, text generation, and Trainer fine-tuning on NLP, vision, audio, and multimodal tasks. Applies when working with AutoModel, pipelines, tokenizers, generation configs, or TrainingArguments within Transformers.

Machine Learning & Data Science

umap-learn

Applies UMAP-learn to nonlinear dimensionality reduction, 2D/3D embeddings, clustering preprocessing, supervised or semi-supervised UMAP, DensMAP, AlignedUMAP, and Parametric UMAP workflows.

Machine Learning & Data Science

vaex

Processes large tabular scientific datasets with Vaex expressions, filtered views, streamed statistics, binned visualizations, and file conversion. Use for larger-than-RAM HDF5, Arrow, CSV, or Parquet analysis, virtual feature engineering, or Vaex ML preprocessing; distinguishes these operations from estimators and conversions that materialize data.

Machine Learning & Data Science

what-if-oracle

Supports structured what-if scenario analysis for research planning, experimental contingencies, and scientific project decisions. Explores favorable, reference, adverse, wild-card, contrarian, and second-order scenarios with explicit assumptions, evidence, and decision triggers. Use to stress-test a research plan under uncertainty; scenario narratives do not estimate causal effects or calibrated forecast probabilities.

Machine Learning & Data Science

zarr-python

Stores and queries chunked N-D scientific arrays with Zarr-Python 3, including codecs, sharding, S3/GCS storage, and NumPy/Dask/Xarray integration. Use for array layout, bounded I/O, format migration, or scientific metadata preservation.

Machine Learning & Data Science