Raster geospatial data processing — the Python interface to GDAL for satellite imagery, elevation models, and grid-based geographic analysis. Rasterio reads and writes georeferenced raster formats (GeoTIFF, NetCDF, JP2, PNG, JPEG2000), handles Coordinate Reference Systems (CRS) and reprojection, performs band math (NDVI, NDWI, EVI), clips/masks rasters with vector geometries, resamples grids, and supports memory-efficient windowed I/O for multi-gigabyte files. Use when: working with satellite imagery or aerial photos, processing Digital Elevation Models (DEM/DTM/DSM), computing spectral indices from multispectral data, clipping raster data to polygon boundaries, reprojecting between coordinate systems, performing spatial interpolation on gridded data, analyzing land cover or land use change over time, integrating raster data with vector data (geopandas/shapely), or any task involving georeferenced grid/pixel data as opposed to vector points/lines/polygons.

Quantum Toolbox in Python. Framework for simulating the dynamics of open quantum systems. Provides data structures for quantum objects (kets, bras, operators) and solvers for master equations, Monte Carlo trajectories, and time-dependent Hamiltonians. Use for quantum dynamics simulation, open quantum systems, master equations, quantum optics, cavity QED, Jaynes-Cummings model, Rabi oscillations, Wigner functions, quantum correlations, entanglement analysis, and quantum control.

Comprehensive guide for Qiskit - IBM's quantum computing framework. Use for quantum circuit design, quantum algorithms (VQE, QAOA, Grover, Shor), quantum simulation, noise modeling, quantum machine learning, and quantum chemistry calculations. Essential for quantum computing research and applications.

Advanced sub-skill for Qiskit focused on executing circuits on physical quantum processing units (QPUs). Covers IBM Quantum Runtime, error mitigation techniques (TREX, ZNE), hardware-aware transpilation, and low-level pulse control (OpenPulse).

Leading deep learning framework. Provides Tensors and Dynamic Computational Graphs with strong GPU acceleration. Widely used for research, neural networks, and differentiable programming.

Advanced sub-skill for PyTorch focused on deep research and production engineering. Covers custom Autograd functions, module hooks, advanced initialization, Distributed Data Parallel (DDP), and performance profiling.

Graph Neural Networks (GNN) for learning on graph-structured data. PyTorch Geometric (PyG) extends PyTorch with the MessagePassing framework — the core abstraction for all GNN layers — and provides standard convolutions (GCNConv, GATConv, GraphSAGEConv, GINConv), graph pooling, batching of variable-size graphs, and datasets. Use when: performing node classification (e.g., predicting labels on a citation network), graph classification (e.g., predicting molecular properties), link prediction (e.g., recommending new connections), learning representations on any graph-structured data (social networks, molecules, knowledge graphs, protein structures), implementing custom GNN architectures via the MessagePassing base class, working with heterogeneous graphs (multiple node/edge types), or any task where data has explicit relational structure that CNNs/RNNs cannot capture. Complements networkx (classical graph algorithms) and rdkit (molecular graphs) — PyG adds the deep learning layer on top.

Advanced sub-skill for PyTorch focused on model productionization and deployment. Covers TorchScript (JIT/Tracing), ONNX export, LibTorch (C++ API), and inference optimization (Quantization, Pruning).

Comprehensive guide for PySCF - Python-based Simulations of Chemistry Framework. Use for ab initio quantum chemistry calculations including Hartree-Fock, DFT, MP2, CCSD, geometry optimization, excited states, and molecular properties. Industry-standard library for electronic structure calculations.

Python module for reading, manipulating and writing genomic alignment formats (SAM/BAM/CRAM) and variant files (VCF/BCF). Wrapper for htslib.

Python interface to PROJ (cartographic projections and coordinate transformations library). Handles transformations between different Coordinate Reference Systems (CRS) and performs geodetic calculations (distance, area on ellipsoids). Use for coordinate transformations, CRS conversions, geodetic calculations, UTM projections, GPS coordinate conversions, ellipsoidal distance calculations, and spatial reference system operations.

Python Optimization Modeling Objects. A high-level framework for formulating, solving, and analyzing optimization models. Supports Linear Programming (LP), Mixed-Integer Linear Programming (MILP), and Non-Linear Programming (NLP). Part of the COIN-OR project. Use for mathematical optimization, linear programming, mixed-integer programming, non-linear programming, strategic planning, process engineering, energy systems, supply chain optimization, stochastic programming, and solver integration with IPOPT, SCIP, Gurobi, CPLEX, or GLPK.

Probabilistic programming for Bayesian statistical modeling and inference. PyMC provides declarative model specification with MCMC (NUTS) and variational inference samplers; NumPyro offers JAX-accelerated equivalent for large-scale problems. Use when: quantifying uncertainty in parameter estimates, building hierarchical or mixed-effects models, Bayesian A/B testing or experimentation, posterior predictive checks, model comparison with WAIC or LOO-CV, scientific measurement with error propagation, any analysis requiring credible intervals, probability statements like P(effect > 0), or situations where understanding the full posterior distribution matters more than a single p-value. Also use when priors encode domain knowledge, sample sizes are small, or data is naturally nested.

Python package for working with DICOM files. It allows you to read, modify, and write DICOM data in a Pythonic way. Essential for medical imaging processing, clinical data extraction, and AI in radiology.

Protein Dynamics, Evolution, and Structure analysis. Specialized in Normal Mode Analysis (NMA) using Anisotropic (ANM) and Gaussian Network Models (GNM). Features tools for structural ensemble analysis, PCA, and co-evolutionary analysis (Evol). Use for protein flexibility prediction, collective motions, structural ensemble comparison, hinge region identification, binding site analysis, MD trajectory filtering, and evolutionary analysis.

Blazingly fast DataFrame library written in Rust. Features a multi-threaded query engine, lazy evaluation, and efficient memory usage via Apache Arrow. Designed for high-performance data processing on a single machine. Use for large datasets (1GB-100GB+), fast data transformations, Parquet/CSV processing, complex query pipelines, memory-efficient operations, and when speed is critical (10-100x faster than pandas).

A high-level interactive graphing library for Python. Ideal for web-based visualizations, 3D plots, and complex interactive dashboards. Built on plotly.js, it allows users to zoom, pan, and hover over data points in a browser-based environment. Use for interactive charts, web applications, Jupyter notebooks, 3D data visualization, geographic maps, financial charts, animations, time-series analysis, and building production-ready dashboards with Dash.

An Astropy coordinated package for detecting and performing photometry of astronomical sources. Provides tools for background estimation, source detection (DAOFIND, IRAF), aperture photometry, and PSF (Point Spread Function) fitting. Use when working with astronomical image analysis, star/galaxy detection, measuring brightness (photometry), background subtraction, PSF fitting, aperture photometry, centroiding, or isophotal analysis.

Cross-platform Python library for differentiable quantum computing. Integrated with machine learning libraries like PyTorch, TensorFlow, and JAX. Designed for quantum machine learning (QML), variational algorithms, and hardware-agnostic quantum programming. Use for Quantum Neural Networks (QNNs), Variational Quantum Algorithms (VQE, QAOA), hybrid classical-quantum machine learning, quantum chemistry calculations, benchmarking quantum algorithms, optimizing quantum control pulses, and investigating QML phenomena like Barren Plateaus.

Advanced sub-skill for pandas focused on memory optimization, execution speed, and handling large-scale datasets (10M+ rows). Covers low-level dtypes, efficient indexing, and vectorization of complex logic.

Google Optimization Tools. An open-source software suite for optimization, specialized in vehicle routing, flows, integer and linear programming, and constraint programming. Features the world-class CP-SAT solver. Use for vehicle routing problems (VRP), scheduling, bin packing, knapsack problems, linear programming (LP), integer programming (MIP), network flows, constraint programming, combinatorial optimization, resource allocation, shift scheduling, job-shop scheduling, and discrete optimization problems.

Open Source Computer Vision Library (OpenCV) for real-time image processing, video analysis, object detection, face recognition, and camera calibration. Use when working with images, videos, cameras, edge detection, contours, feature detection, image transformations, object tracking, optical flow, or any computer vision task.

A chemical toolbox designed to speak the many languages of chemical data. Supports over 110 formats and provides tools for conversion, 3D structure generation, molecular searching (SMARTS), and force field calculations. Use for chemical file format conversion (SDF, PDB, SMILES, CIF, Gaussian), 3D coordinate generation from 2D structures, substructure searching with SMARTS patterns, molecular docking preparation, force field minimizations (UFF, GAFF, MMFF94), molecular fingerprints and Tanimoto coefficients, and batch processing of chemical databases.

Comprehensive guide for NumPy - the fundamental package for scientific computing in Python. Use for array operations, linear algebra, random number generation, Fourier transforms, mathematical functions, and high-performance numerical computing. Foundation for SciPy, pandas, scikit-learn, and all scientific Python.