Drug Target Interactions Python Packages

meeko

Interface for AutoDock, molecule parameterization

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.

deeppurpose

A Deep Learning Toolkit for DTI, Drug Property, PPI, DDI, Protein Function Prediction (Bioinformatics)

pydruglogics

Construct, optimize Boolean models and perform in-silico perturbations of the models.

mandos

Get the biological targets of compounds.