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Found 70 Skills
Open-source cheminformatics and machine learning toolkit for drug discovery, molecular manipulation, and chemical property calculation. RDKit handles SMILES, molecular fingerprints, substructure searching, 3D conformer generation, pharmacophore modeling, and QSAR. Use when working with chemical structures, drug-like properties, molecular similarity, virtual screening, or computational chemistry workflows.
Professional sub-skill for Matplotlib focused on high-performance animations, complex multi-figure layouts (GridSpec), interactive widgets, and publication-ready typography (LaTeX/PGF).
Open-source Python package for exploring, visualizing, and analyzing human neurophysiological data including EEG, MEG, sEEG, and ECoG.
Library for bioinformatics and community ecology statistics. Provides data structures and algorithms for sequences, alignments, phylogenetics, and diversity analysis. Essential for microbiome research and ecological data science. Use for alpha/beta diversity metrics, ordination (PCoA), phylogenetic trees, sequence manipulation (DNA/RNA/Protein), distance matrices, PERMANOVA, and community ecology analysis.
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.
A fast, extensible progress bar for Python and CLI. Instantly makes your loops show a smart progress meter with ETA, iterations per second, and customizable statistics. Minimal overhead. Use for monitoring long-running loops, simulations, data processing, ML training, file downloads, I/O operations, command-line tools, pandas operations, parallel tasks, and nested progress bars.
A Python data visualization library based on matplotlib. It provides a high-level interface for drawing attractive and informative statistical graphics. Great for exploring relationships between variables and visualizing distributions. Use for statistical data visualization, exploratory data analysis (EDA), relationship plots, distribution plots, categorical comparisons, regression visualization, heatmaps, cluster maps, and creating publication-quality statistical graphics from Pandas DataFrames.
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, higher-order derivatives, physics-informed machine learning, differentiable simulations, and automatic vectorization.
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.
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.
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.
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 @njit, @vectorize, prange, cuda.jit, numba.typed, JIT compilation, parallel loops, GPU acceleration with CUDA, Monte Carlo simulations, numerical algorithms, and high-performance Python computing.