DRKG

State-of-the-Art Deep Learning scripts organized by models - easy to train and deploy with reproducible accuracy and performance on enterprise-grade infrastructure.

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

Repository for benchmarking graph neural networks (JMLR 2023)

Message Passing Neural Networks for Molecule Property Prediction

A powerful and flexible machine learning platform for drug discovery

High performance, easy-to-use, and scalable package for learning large-scale knowledge graph embeddings.

Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science

Protein Graph Library

This is an open-source toolkit for Heterogeneous Graph Neural Network(OpenHGNN) based on DGL.

List of Molecular and Material design using Generative AI and Deep Learning