Metadata-Version: 2.1
Name: pyUAMMD
Version: 1.1.2
Summary: UAMMD python
Home-page: https://github.com/PabloIbannez/UAMMD-structured
Author-email: Pablo Ibáñez-Freire <p.ibanez.fre@gmail.com>
License: GPL-3.0
Classifier: Development Status :: 3 - Alpha
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >=3.7
Description-Content-Type: text/markdown
License-File: LICENSE.txt
Requires-Dist: deepdiff
Requires-Dist: jsbeautifier
Requires-Dist: JFIO

# UAMMD-structured

UAMMD-structured is an extension of the UAMMD (Universally Adaptable Multiscale Molecular Dynamics) software.

## Features

- Native GPU implementation for maximum performance
- Modular and open design for easy extension and customization
- Structured framework for defining hierarchical levels in coarse-grained models
- Flexible input system based on JSON or YAML formats
- Extensive set of interactions and integrators
- Batching system for efficient execution of multiple small simulations
- Python interface through PyUAMMD

## Installation

### Prerequisites

- CUDA 8.0+
- C++14 compatible compiler
- LAPACKE/CBLAS or Intel MKL

For detailed installation instructions and compiler compatibility, please refer to the [official documentation](https://uammd-structured.readthedocs.io/en/latest).

## Quick Start

For more examples and detailed usage instructions, please check the documentation.

## Documentation
Comprehensive documentation is available at https://uammd-structured.readthedocs.io/.

## Contributing
We welcome contributions to UAMMD-structured! Please read our contributing guidelines [here](https://uammd-structured.readthedocs.io/en/latest/contributing.html) 
for details on how to develop modules, submit bug reports, and contribute to the codebase.

## License
UAMMD-structured is released under the GPL-3.0 License. See the LICENSE.txt file for more information.

## Citation

## Contact
For questions, issues, or discussions, please use the GitHub Issues page.
