9 projects
sirocco
A library for creating weather and climate workflows.
metatensor-learn
Building blocks for the atomistic machine learning models based on PyTorch and NumPy
metatensor-operations
Operations to manipulate metatensor data types
metatensor-torch
TorchScript bindings for metatensor
metatensor-core
Python bindings for metatensor
metatensor
Self-describing sparse tensor data format for atomistic machine learning and beyond
skmatter
A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities.
scwidgets
ipywidgets for the creation of interactive code demos and educational notebooks
skcosmo
A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory
