Metadata-Version: 2.3
Name: allmetal3d
Version: 0.5.0
Summary: Predicting metal and water binding sites in proteins using 3DCNNs
License: MIT
Author: Simon Duerr
Requires-Python: >=3.10,<4.0
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Requires-Dist: biopython (>=1.84,<2.0)
Requires-Dist: gradio (==4.20.0)
Requires-Dist: gradio_molecule3d (>=0.0.4,<0.0.5)
Requires-Dist: halo (==0.0.31)
Requires-Dist: moleculekit (==1.9.4)
Requires-Dist: numpy (==1.26.4)
Requires-Dist: pydantic (==2.6.3)
Requires-Dist: scikit-learn (==1.4.1.post1)
Requires-Dist: scipy (==1.12.0)
Requires-Dist: tabulate (>=0.9.0,<0.10.0)
Description-Content-Type: text/markdown

# AllMetal3D

Predicting metal and water binding sites in proteins using 3DCNNs

## Installation

Follow install instructions [here](https://lcbc-epfl.github.io/allmetal3d/install)

## Usage

The easiest way to try the server is on [HuggingFace]() or using the [ChimeraX Plugin](https://lcbc-epfl.github.io/allmetal3d/chimerax)

You can also run the package locally after installing it. More instructions on [here](https://lcbc-epfl.github.io/allmetal3d/example)


## Citation

If you use AllMetal3D please cite:

> AllMetal3D, *Simon Duerr, Ursula Roethlisberger*, BioRxiv, 2024

If you use Water3D please cite:

> Water3D, *Simon Duerr, Ursula Roethlisberger*, BioRxiv, 2024

## License

`allmetal3d` is licensed under the terms of the MIT license.

## Contributing

Interested in contributing? Check out the contributing guidelines. Please note that this project is released with a Code of Conduct. By contributing to this project, you agree to abide by its terms.


