Carcará

🚧 (Under development) 🚧

Machine learning for atomistic simulations.

Installation

From pip

The easiest way to install Carcará is with pip:

pip install carcara

From github

To install Carcará directly from the GitHub repository, run the following commands:

pip install git+https://github.com/seixas-research/carcara.git

Getting started

Training

Evaluation

# TODO

License

This is an open source code under MIT License.

Acknowledgements

We thank financial support from FAPESP (Grant No. 2022/14549-3), INCT Materials Informatics (Grant No. 406447/2022-5), and CNPq (Grant No. 311324/2020-7).