metatensor-models
This is a repository for models using metatensor, in one shape or another. The only requirement is for these models to be able to take metatensor objects as inputs and outputs. The models do not need to live entirely in this repository: in the most extreme case, this repository can simply contain a wrapper to an external model.
List of Implemented Architectures
Currently metatensor-models supports the following architectures for building an atomistic model.
| Name | Description |
|---|---|
| SOAP BPNN | A Behler-Parrinello neural network with SOAP features |
Documentation
For details, tutorials, and examples, please have a look at our [documentation](https://lab-cosmo.github.io/metatensor-models/latest/).
Installation
You can install metatensor-models with pip:
git clone https://github.com/lab-cosmo/metatensor-models
cd metatensor-models
pip install .In addition, specific models must be installed by specifying the model name. For example, to install the SOAP-BPNN model, you can run:
pip install .[soap-bpnn]Having problems or ideas?
Having a problem with metatensor-models? Please let us know by submitting an issue.
Submit new features or bug fixes through a pull request.
Contributors
Thanks goes to all people that make metatensor-models possible:
