Graph deep learning models, which incorporate a natural inductive bias for atomic structures, are of immense interest in materials science and chemistry. Here, we introduce the Materials Graph Library ...

Deep learning models can accurately predict molecular properties and help making the search for potential drug candidates faster and more efficient. Many existing methods are purely data driven, ...

The unprecedented explosion in the amount of information we are generating and collecting, thanks to the arrival of the internet and the always-online society, powers all the incredible advances we ...