A knowledge graph and a set of tools for drug repurposing
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
