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

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

DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping

The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)

A JAX research toolkit for building, editing, and visualizing neural networks.

Implementation of Alphafold 3 from Google Deepmind in Pytorch

PyTorch and TensorFlow implementation of NCP, LTC, and CfC wired neural models

This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the University of Milano, originally inspired by https://github.com/pb3la…

An open source implementation of LFMs from Liquid AI: Liquid Foundation Models