pyt-team/TopoModelX

Kolmogorov Arnold Networks

Learning in infinite dimension with neural operators.

Graph Neural Network Library for PyTorch

A library for scientific machine learning and physics-informed learning

cuEquivariance is a math library that is a collective of low-level primitives and tensor ops to accelerate widely-used models, like DiffDock, MACE, Allegro and NEQUIP, based on equivariant neural networks. Also includes kernels for accelerated structure prediction.

A Library for Advanced Neural PDE Solvers.

Open-source deep-learning framework for building, training, and fine-tuning deep learning models using state-of-the-art Physics-ML methods

Physics-Informed Neural networks for Advanced modeling

Generative Flow Networks - GFlowNet