10 projects
chemiscope
Helpers to work with the chemiscope interactive structure/property explorer for materials and molecules
metatensor-torch
TorchScript bindings for metatensor
metatensor-learn
Building blocks for the atomistic machine learning models based on PyTorch and NumPy
metatensor-operations
Operations to manipulate metatensor data types
metatensor-core
Python bindings for metatensor
sphericart-torch
TorchScript bindings to sphericart
sphericart-jax
JAX bindings to sphericart
sphericart
Fast calculation of spherical harmonics
metatrain
Atomistic models using metatensor
metatensor
Self-describing sparse tensor data format for atomistic machine learning and beyond
