https://github.com/seixasgroup/carcara

https://github.com/seixasgroup/carcara

artificial-intelligence chemistry force-fields graph-neural-networks interatomic-potentials machine-learning materials-science neural-networks physics python

Last synced: 29 days ago
JSON representation

• Host: GitHub
• URL: https://github.com/seixasgroup/carcara
• Owner: seixasgroup
• License: mit
• Created: 2025-07-09T01:22:16.000Z (7 months ago)
• Default Branch: main
• Last Pushed: 2025-12-07T22:06:20.000Z (2 months ago)
• Last Synced: 2026-01-04T13:55:32.358Z (about 1 month ago)
• Topics: artificial-intelligence, chemistry, force-fields, graph-neural-networks, interatomic-potentials, machine-learning, materials-science, neural-networks, physics, python
• Language: Python
• Homepage:
• Size: 2.76 MB
• Stars: 4
• Watchers: 0
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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[![License: MIT](https://img.shields.io/github/license/seixasgroup/carcara?color=green&style=for-the-badge)](LICENSE)    [![PyPI](https://img.shields.io/pypi/v/carcara?color=red&style=for-the-badge)](https://pypi.org/project/carcara/)

# Carcará

🚧 **(Under development)** 🚧

Machine learning for atomistic simulations.

# Installation

## From pip

The easiest way to install Carcará is with pip:

```python

pip install carcara

```

## From github

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

```python

pip install git+https://github.com/seixasgroup/carcara.git

```

# Getting started

## Training

## Evaluation

```python

# TODO

```

# License

This is an open source code under [MIT License](https://raw.githubusercontent.com/seixasgroup/carcara/refs/heads/main/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).