Source: https://github.com/aipoch/medical-research-skills

When to Use

You need to extract structured drug properties (e.g., identifiers, synonyms, ATC codes) from DrugBank XML for downstream analysis.
You want to build and analyze drug–drug interaction (DDI) networks from DrugBank interaction records.
You are mapping drugs to targets (proteins/genes) to support target discovery, mechanism-of-action analysis, or enrichment workflows.
You need to connect drugs to pathways and pharmacology annotations for systems pharmacology or knowledge graph construction.
You want to generate tabular datasets (CSV/Parquet) from DrugBank for use in notebooks, dashboards, or ML pipelines.

Key Features

Programmatic download of DrugBank releases via drugbank-downloader (requires DrugBank access).
XML parsing and traversal using lxml for reliable extraction of nested DrugBank entities.
Data wrangling into pandas DataFrames for filtering, joining, and export.
Network construction and analysis with networkx (e.g., DDI graphs, drug–target bipartite graphs).
Optional cheminformatics support with rdkit for structure-based processing (e.g., SMILES/InChI handling when present).