Drug Python Packages

uniprot-mcp-server

Model Context Protocol server for UniProt — Swiss-Prot and TrEMBL protein knowledgebase. 41 tools across 8 families with per-query SHA-256 provenance verification and offline replay.

covdrugsim

Package to automate quantum mechanical calculations and molecular dynamics simulations of covalent drugs.

medcodemap

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

chemicalx

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

ontoloviz

OntoloViz drug- and phenotype-ontology visualization GUI

lohi-splitter

Lo-Hi Splitter for Modern Splits of Molecular Datasets

medcode

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