Drug Python Packages

uniprot-mcp-server

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

ontoloviz

GUI for drug and phenotype ontology visualization

qmmd

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

chemicalx

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

medcodemap

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

lohi-splitter

Train-test splitter for Lead Optimization and Hit Identification tasks.

covdrugsim

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

medcode

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