tensorial

tensorial is an open-source Python library for machine learning on physical tensors. It combines JAX-based numerical tooling with geometric and equivariant model components, with a focus on atomistic and materials applications.

It is built for tensor-valued representations and symmetry-aware learning, which makes it well suited to molecular and materials modelling, graph-based neural networks and other physics-informed machine-learning workflows.

Highlights:

• tensorial.gcnn: building blocks for equivariant graph neural networks
• tensorial.mlip: tools for building and training machine-learned interatomic potentials
• Built on JAX, e3nn-jax and Flax