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https://github.com/lab-cosmo/metatensor
Self-describing sparse tensor data format for atomistic machine learning and beyond
https://github.com/lab-cosmo/metatensor
Last synced: about 2 months ago
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Self-describing sparse tensor data format for atomistic machine learning and beyond
- Host: GitHub
- URL: https://github.com/lab-cosmo/metatensor
- Owner: lab-cosmo
- License: bsd-3-clause
- Created: 2022-03-01T15:58:28.000Z (over 2 years ago)
- Default Branch: master
- Last Pushed: 2024-05-28T14:49:58.000Z (4 months ago)
- Last Synced: 2024-05-29T05:09:44.527Z (4 months ago)
- Language: Python
- Homepage: https://docs.metatensor.org
- Size: 9.71 MB
- Stars: 41
- Watchers: 17
- Forks: 13
- Open Issues: 67
-
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.rst
- License: LICENSE
- Code of conduct: CODE_OF_CONDUCT.md
- Authors: AUTHORS
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README
# Metatensor
[![tests status](https://img.shields.io/github/checks-status/lab-cosmo/metatensor/master)](https://github.com/lab-cosmo/metatensor/actions?query=branch%3Amaster)
[![documentation](https://img.shields.io/badge/documentation-latest-sucess)](https://docs.metatensor.org/latest/)
[![coverage](https://codecov.io/gh/lab-cosmo/metatensor/branch/master/graph/badge.svg)](https://codecov.io/gh/lab-cosmo/metatensor)Metatensor is a self-describing sparse tensor data format for atomistic machine
learning and beyond; storing values and gradients of these values together.
Think numpy `ndarray` or pytorch `Tensor` equipped with extra metadata for
atomic systems and other point clouds data. The core of this library is written
in Rust and we provide API for C, C++, and Python.The main class of metatensor is the `TensorMap` data structure, defining a
custom block-sparse data format. If you are using metatensor from Python, we
additionally provide a collection of mathematical, logical and other utility
operations to make working with TensorMaps more convenient.## Documentation
For details, tutorials, and examples, please have a look at our [documentation](https://docs.metatensor.org/).
## Contributors
Thanks goes to all people that make metatensor possible:
[![contributors list](https://contrib.rocks/image?repo=lab-cosmo/metatensor)](https://github.com/lab-cosmo/metatensor/graphs/contributors)
We always welcome new contributors. If you want to help us take a look at our
[contribution guidelines](CONTRIBUTING.rst) and afterwards you may start with an
open issue marked as [good first
issue](https://github.com/lab-cosmo/metatensor/issues?q=is%3Aissue+is%3Aopen+label%3A%22good+first+issue%22).