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SkillsMP a collecté 68 skills depuis tondevrel/scientific-agent-skills. Ouvrez un skill pour examiner sa source et ses détails.
Affichage de 40 skills collectés sur 68.
Atomic Simulation Environment - a set of tools for setting up, manipulating, running, visualizing, and analyzing atomistic simulations. Acts as a universal interface between Python and numerous quantum chemical and molecular dynamics codes. Use for building…
Langue du texte source : anglais
The core library for Astronomy and Astrophysics in Python. Provides data structures for coordinates, time, units, FITS files, and cosmological models. Essential for observational data reduction and theoretical astrophysics. Use when working with astronomical…
Langue du texte source : anglais
A Python package useful for chemistry (mainly physical/analytical/inorganic chemistry). Features include balancing chemical reactions, chemical kinetics (ODE integration), chemical equilibria, ionic strength calculations, and unit handling. Use when working…
Langue du texte source : anglais
Constraints-Based Reconstruction and Analysis for Python. Used for modeling large-scale metabolic networks in microorganisms.
Langue du texte source : anglais
Advanced sub-skill for Dask focused on distributed system performance, memory management, and task graph optimization. Covers cluster tuning, efficient serialization, data skew mitigation, and dashboard-driven debugging.
Langue du texte source : anglais
A flexible library for parallel computing in Python. It scales Python libraries like NumPy, pandas, and scikit-learn to multi-core systems or distributed clusters. Features lazy evaluation and task scheduling for data that exceeds RAM capacity. Use for…
Langue du texte source : anglais
Causal inference framework for answering "does X cause Y?" beyond correlation. DoWhy (Microsoft Research) provides the identify-estimate-refute loop: define a causal graph (DAG), identify the causal effect using backdoor/frontdoor/instrumental variable…
Langue du texte source : anglais
An analytical in-process SQL database management system. Designed for fast analytical queries (OLAP). Highly interoperable with Python's data ecosystem (Pandas, NumPy, Arrow, Polars). Supports querying files (CSV, Parquet, JSON) directly without an ingestion…
Langue du texte source : anglais
Dual skill for deploying scientific models. FastAPI provides a high-performance, asynchronous web framework for building APIs with automatic documentation. Streamlit enables rapid creation of interactive data applications and dashboards directly from Python…
Langue du texte source : anglais
Open source project to make working with geospatial data in python easier. Extends the datatypes used by pandas to allow spatial operations on geometric types. Built on top of Shapely, Fiona, and Pyproj. Use for reading and writing spatial formats (Shapefile,…
Langue du texte source : anglais
A Pythonic interface to the HDF5 binary data format. It allows you to store huge amounts of numerical data and easily manipulate that data from NumPy. Features a hierarchical structure similar to a file system. Use for storing datasets larger than RAM,…
Langue du texte source : anglais
Advanced sub-skill for JAX focused on solving Partial Differential Equations (PDEs) and Differentiable Physics. Covers Finite Difference Methods (FDM), Neural Operators, and Physics-Informed Neural Networks (PINNs).
Langue du texte source : anglais
Composable transformations of Python+NumPy programs. Differentiate, vectorize, JIT-compile to GPU/TPU. Built for high-performance machine learning research and complex scientific simulations. Use for automatic differentiation, GPU/TPU acceleration,…
Langue du texte source : anglais
Professional sub-skill for Matplotlib focused on high-performance animations, complex multi-figure layouts (GridSpec), interactive widgets, and publication-ready typography (LaTeX/PGF).
Langue du texte source : anglais
The foundational library for creating static, animated, and interactive visualizations in Python. Highly customizable and the industry standard for publication-quality figures. Use for 2D plotting, scientific data visualization, heatmaps, contours, vector…
Langue du texte source : anglais
Comprehensive guide for MDAnalysis - the Python library for analyzing molecular dynamics trajectories. Use for trajectory loading, RMSD/RMSF calculations, distance/angle/dihedral analysis, atom selections, hydrogen bonds, solvent accessible surface area,…
Langue du texte source : anglais
Open-source Python package for exploring, visualizing, and analyzing human neurophysiological data including EEG, MEG, sEEG, and ECoG.
Langue du texte source : anglais
Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks. Supports various graph types (Directed, Undirected, Multigraphs) and features a vast library of standard graph algorithms. Use for network…
Langue du texte source : anglais
A Just-In-Time (JIT) compiler for Python that translates a subset of Python and NumPy code into fast machine code. Developed by Anaconda, Inc. Highly effective for accelerating loops, custom mathematical functions, and complex numerical algorithms. Use for…
Langue du texte source : anglais
Advanced sub-skill for NumPy focused on internal memory management, stride manipulation, structured arrays, and interfacing with C/Cython. Covers zero-copy operations and SIMD vectorization principles.
Langue du texte source : anglais
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…
Langue du texte source : anglais
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…
Langue du texte source : anglais
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),…
Langue du texte source : anglais
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.
Langue du texte source : anglais
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.…
Langue du texte source : anglais
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…
Langue du texte source : anglais
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…
Langue du texte source : anglais
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+),…
Langue du texte source : anglais
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…
Langue du texte source : anglais
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.
Langue du texte source : anglais
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:…
Langue du texte source : anglais
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.…
Langue du texte source : anglais
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…
Langue du texte source : anglais
Python module for reading, manipulating and writing genomic alignment formats (SAM/BAM/CRAM) and variant files (VCF/BCF). Wrapper for htslib.
Langue du texte source : anglais
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).
Langue du texte source : anglais
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,…
Langue du texte source : anglais
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.
Langue du texte source : anglais
Leading deep learning framework. Provides Tensors and Dynamic Computational Graphs with strong GPU acceleration. Widely used for research, neural networks, and differentiable programming.
Langue du texte source : anglais
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).
Langue du texte source : anglais
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…
Langue du texte source : anglais