Skill UI

A comprehensive Python package providing a unified interface to over 40 major bioinformatics web services and databases. Use it for complex biological workflows, including cross-database querying (e.g., UniProt, KEGG, ChEMBL), identifier mapping, protein sequence retrieval, pathway analysis, and running sequence similarity searches like BLAST. It streamlines data integration from multiple life science resources into consistent Python code.

COBRApy is a powerful Python library for Constraint-Based Reconstruction and Analysis (COBRA). It enables deep dives into cellular metabolism, allowing users to build, simulate, and analyze complex metabolic models (e.g., genome-scale models). Core functionalities include Flux Balance Analysis (FBA), Flux Variability Analysis (FVA), performing gene/reaction knockouts, and optimizing growth media. It supports standard metabolic model formats like SBML, JSON, and YAML.

Dask is a powerful Python library designed for parallel and distributed computing. It allows users to scale existing pandas and NumPy workflows beyond the limits of available RAM, processing massive datasets up to the terabyte scale. It provides specialized APIs (DataFrames, Arrays, Bags) for handling structured, scientific, and unstructured data efficiently across single machines or multi-node clusters.

Datamol provides a simplified, Pythonic abstraction layer over RDKit, making complex molecular operations accessible for chemical data science. It supports core functionalities including SMILES parsing, structure standardization, calculation of molecular descriptors (e.g., LogP, MW), 3D conformer generation, and efficient parallel batch processing. It is ideal for streamlining molecular data handling in drug discovery and chemical research pipelines.

DeepChem is a comprehensive Python library designed for applying machine learning to complex fields like chemistry, materials science, and biology. It enables users to perform molecular property prediction (e.g., ADMET, toxicity), train models using specialized graph neural networks (GNNs), and process diverse molecular formats (SMILES, SDF, FASTA). It provides extensive featurization options, making it foundational for drug discovery and computational chemistry research.

A comprehensive toolkit for developing and executing genomics pipelines on the DNAnexus cloud platform. It provides capabilities for app/applet building, managing large biomedical datasets (FASTQ, BAM, VCF), orchestrating complex workflows, and interacting programmatically using the dxpy Python SDK.

A lightweight Python library designed for reading, parsing, and writing Flow Cytometry Standard (FCS) files. It extracts event data as NumPy arrays, handles complex metadata, and supports multiple FCS versions (2.0-3.1). Ideal for data preprocessing, building cytometry pipelines, and inspecting experimental results.

FluidSim is an object-oriented Python framework for high-performance Computational Fluid Dynamics (CFD) simulations. It provides specialized solvers for complex equations like 2D/3D Navier-Stokes, shallow water, and stratified flows. Utilizing pseudospectral methods with FFT, the framework supports parallel computing (MPI) and offers a complete workflow, including parameter configuration, simulation execution, and advanced post-processing and visualization.

Geniml is a comprehensive Python package designed for applying machine learning models to genomic interval data, typically stored in BED files. It provides several unsupervised methods—including Region2Vec and BEDspace—to learn robust embeddings of genomic regions, single cells (scATAC-seq), and associated metadata. Use cases include dimensionality reduction, structural variation analysis, cell-type annotation, and cross-modal querying in genomics research.

A powerful Python library that extends pandas to enable complex spatial operations on vector geometric data. It supports reading and writing diverse formats, including Shapefile, GeoJSON, and GeoPackage. Users can perform advanced GIS tasks such as spatial joins, buffering, overlay analysis, calculating areas, managing Coordinate Reference Systems (CRS), and generating interactive choropleth maps, making it essential for geographic data science projects.

gget is a comprehensive command-line tool and Python package offering unified access to over 20 genomic databases. It facilitates quick lookups for gene information, sequence analysis (BLAST), protein structures, and expression data, supporting both interactive CLI use and advanced programmatic Python workflows for biological research.

Gtars is a high-performance toolkit written in Rust with Python bindings, designed for comprehensive analysis of genomic interval data. It provides specialized modules for overlap detection, generating coverage tracks (WIG/BigWig), tokenization for Machine Learning models, and detailed fragment analysis in single-cell genomics. Use it for robust bioinformatics pipelines and computational genomics research.