Mediterranean Machine Learning school 2025 tutorials

A pytorch library for graph and hypergraph computation.

MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)

LEts gooo

This repository contains the TraRe package, from the paper "Bayesian Machine Learning Enables Identification of Transcriptional Network Disruptions Associated with Drug-Resistant Prostate Cancer"

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

Official repository of the data-driven deconvolution approach Sweetwater.

GeNNius: An ultrafast drug-target interaction inference method based on graph neural networks

Code for reproducing the results of NetActivity paper

This is a package for evaluating prediction models based on Graph Embedding methodologies.

A database of paths that represent the mechanism of action from a drug to a disease in an indication.

Graph Neural Network Library for PyTorch

Free collection of Bio datasets and embeddings