13 projects
metatensor-torch
TorchScript bindings for metatensor
aiida-core
AiiDA is a workflow manager for computational science with a strong focus on provenance, performance and extensibility.
skmatter
A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities.
scwidgets
A collection of widgets to prepare interactive scientific visualisations, including user code input and validation
metatensor-core
Python 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
randomstringpackage
None
aiida-test-cache
A pytest plugin to simplify testing of AiiDA workflows
sirocco
A library for creating weather and climate workflows.
metatensor
Self-describing sparse tensor data format for atomistic machine learning and beyond
skcosmo
A collection of scikit-learn compatible utilities that implement methods developed in the COSMO laboratory
aiida
AiiDA: an automated interactive infrastructure and database for computational science
