Drug Python Packages

uniprot-mcp-server

Auditable UniProt MCP server with per-response SHA-256 provenance, release pinning, verification, and offline replay.

medcodemap

PyPI Package: An easy-to-use medication/drug code mapping tool

ontoloviz

GUI for drug and phenotype ontology visualization

chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

qmmd

:zap: A package to automate quantum mechanical calculations and molecular dynamics simulations of drugs.

lohi-splitter

Lo-Hi Splitter for Modern Splits of Molecular Datasets