Drug Target Interactions Python Packages

meeko

Interface for AutoDock, molecule parameterization

deeppurpose

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

uniprot-mcp-server

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

pydruglogics

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

bioapi-sdk

A powerful abstraction of gene databases

mandos

Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.