Skill UI

Matchms processes LC-MS/MS spectra with import/export tools, filtering, and multiple similarity scorers so you can identify metabolites, match libraries, and automate reproducible workflows.

Query UCSF’s ZINC22 repository of 230M+ purchasable compounds via the web UI or CartBlanche APIs to fetch IDs/SMILES, run similarity, supplier, or random sampling, and assemble docking-ready libraries for virtual screening.

A comprehensive tool for generating publication-quality figures essential for Machine Learning and AI academic papers. It supports two distinct workflows: generating complex system architecture and workflow diagrams using AI (Gemini), and creating precise, data-driven visualizations (line charts, heatmaps, etc.) using standard libraries like matplotlib and seaborn. Use it when preparing any figure for a conference submission.

Python library for medicinal chemistry filtering of compound libraries. Apply drug-likeness rules (Lipinski, Veber, CNS), structural alerts (PAINS, NIBR, ChEMBL), complexity metrics, chemical group detection, and a query language for large-scale molecular triage in drug discovery.

This comprehensive guide covers essential operations for handling PDF documents, including text, table, and metadata extraction using libraries like pdfplumber. It details document creation with reportlab, merging/splitting with pypdf/qpdf, and advanced OCR for scanned PDFs. Ideal for automating complex document workflows and structured data ingestion.

This guide details the process of creating advanced, static visualizations in Power BI using Python libraries like matplotlib and seaborn. It covers the full workflow, from script writing and data injection to best practices and limitations, enabling users to render complex, custom charts not supported by native Power BI visuals.

Generate inline SVG graphics using DAX measures that return SVG markup strings for Power BI reports. Supports table, matrix, card, image, and slicer visuals. Includes templates for common chart types and guidance on using UDF libraries.